(2Z,4E,6Z)-2-[amino(methyl)amino]-1-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrimidin-2-yl]-4,7-dimethylnona-2,4,6-triene-1,3-diamine

C23H34N6 — CID 155424626

IUPAC(2Z,4E,6Z)-2-[amino(methyl)amino]-1-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrimidin-2-yl]-4,7-dimethylnona-2,4,6-triene-1,3-diamine
SMILESC=C(/C=C\C=C/C)c1ccnc(NC/C(=C(N)\C(C)=C\C=C(\C)CC)N(C)N)n1
InChIInChI=1S/C23H34N6/c1-7-9-10-11-18(4)20-14-15-26-23(28-20)27-16-21(29(6)25)22(24)19(5)13-12-17(3)8-2/h7,9-15H,4,8,16,24-25H2,1-3,5-6H3,(H,26,27,28)/b9-7-,11-10-,17-12-,19-13+,22-21-
InChIKeyWXYDTAPAIMTHQV-CVFDAMNTSA-N
MW394.57 g/mol
LogP4.31
Rot. Bonds10

About (2Z,4E,6Z)-2-[amino(methyl)amino]-1-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrimidin-2-yl]-4,7-dimethylnona-2,4,6-triene-1,3-diamine

(2Z,4E,6Z)-2-[amino(methyl)amino]-1-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrimidin-2-yl]-4,7-dimethylnona-2,4,6-triene-1,3-diamine (PubChem CID 155424626) has the molecular formula C23H34N6 and a molecular weight of 394.57 g/mol. Its IUPAC name is (2Z,4E,6Z)-2-[amino(methyl)amino]-1-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrimidin-2-yl]-4,7-dimethylnona-2,4,6-triene-1,3-diamine.

Molecular Properties

Compound Name(2Z,4E,6Z)-2-[amino(methyl)amino]-1-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrimidin-2-yl]-4,7-dimethylnona-2,4,6-triene-1,3-diamine
PubChem CID155424626
Molecular FormulaC23H34N6
Molecular Weight394.57 g/mol
Exact Mass394.28
IUPAC Name(2Z,4E,6Z)-2-[amino(methyl)amino]-1-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrimidin-2-yl]-4,7-dimethylnona-2,4,6-triene-1,3-diamine
SMILESC=C(/C=C\C=C/C)c1ccnc(NC/C(=C(N)\C(C)=C\C=C(\C)CC)N(C)N)n1
InChIInChI=1S/C23H34N6/c1-7-9-10-11-18(4)20-14-15-26-23(28-20)27-16-21(29(6)25)22(24)19(5)13-12-17(3)8-2/h7,9-15H,4,8,16,24-25H2,1-3,5-6H3,(H,26,27,28)/b9-7-,11-10-,17-12-,19-13+,22-21-
InChIKeyWXYDTAPAIMTHQV-CVFDAMNTSA-N
XLogP4.31
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.57
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4E,6Z)-2-[amino(methyl)amino]-1-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrimidin-2-yl]-4,7-dimethylnona-2,4,6-triene-1,3-diamine with MolForge

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Related Compounds

(2Z,5E,7E)-2-amino-8-methoxy-5,9-dimethyl-3-[[[4-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]pyrimidin-2-yl]amino]methyl]deca-2,5,7,9-tetraen-4-one
CID 168949425
2-[2-[ethyl(methyl)amino]ethylamino]pyrimidine-4-carbothioamide
CID 107547316
N-[2-[(4-carbamothioylpyrimidin-2-yl)amino]ethyl]acetamide
CID 107546643
2-N,4-N-bis(2-methylprop-2-enyl)pyrimidine-2,4-diamine
CID 139612143
2-N-(2-bromoprop-2-enyl)pyrimidine-2,4-diamine
CID 116797364
ethane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-pyridin-2-ylpyridine
CID 142487989
4-[(3Z,6Z)-3-(aminomethyl)-7-(methylideneamino)hepta-1,3,6-trien-2-yl]-N-prop-2-enylpyrimidin-2-amine;(2E)-N,N-dimethylpenta-2,4-dien-2-amine
CID 143225799
2-(2,2-dimethylheptylamino)pyrimidine-4-carbothioamide
CID 107547785
2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]quinoline
CID 155373774
2-[(2-fluoro-3-methylbut-2-enyl)amino]pyrimidine-4-carboxylic acid
CID 167956665
2-tert-butyl-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexa-1,3-diene
CID 143829867
2-[(4-methylcyclohexyl)methylamino]pyrimidine-4-carbothioamide
CID 107547443

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6Z)-2-[amino(methyl)amino]-1-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrimidin-2-yl]-4,7-dimethylnona-2,4,6-triene-1,3-diamine?
The IUPAC name of (2Z,4E,6Z)-2-[amino(methyl)amino]-1-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrimidin-2-yl]-4,7-dimethylnona-2,4,6-triene-1,3-diamine (CID 155424626) is (2Z,4E,6Z)-2-[amino(methyl)amino]-1-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrimidin-2-yl]-4,7-dimethylnona-2,4,6-triene-1,3-diamine.
What is the SMILES notation for (2Z,4E,6Z)-2-[amino(methyl)amino]-1-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrimidin-2-yl]-4,7-dimethylnona-2,4,6-triene-1,3-diamine?
The canonical SMILES for (2Z,4E,6Z)-2-[amino(methyl)amino]-1-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrimidin-2-yl]-4,7-dimethylnona-2,4,6-triene-1,3-diamine is C=C(/C=C\C=C/C)c1ccnc(NC/C(=C(N)\C(C)=C\C=C(\C)CC)N(C)N)n1.
What is the InChIKey of (2Z,4E,6Z)-2-[amino(methyl)amino]-1-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrimidin-2-yl]-4,7-dimethylnona-2,4,6-triene-1,3-diamine?
The InChIKey is WXYDTAPAIMTHQV-CVFDAMNTSA-N. The full InChI is InChI=1S/C23H34N6/c1-7-9-10-11-18(4)20-14-15-26-23(28-20)27-16-21(29(6)25)22(24)19(5)13-12-17(3)8-2/h7,9-15H,4,8,16,24-25H2,1-3,5-6H3,(H,26,27,28)/b9-7-,11-10-,17-12-,19-13+,22-21-.
What are the key properties of (2Z,4E,6Z)-2-[amino(methyl)amino]-1-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrimidin-2-yl]-4,7-dimethylnona-2,4,6-triene-1,3-diamine?
(2Z,4E,6Z)-2-[amino(methyl)amino]-1-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrimidin-2-yl]-4,7-dimethylnona-2,4,6-triene-1,3-diamine has a molecular weight of 394.57 g/mol, XLogP of 4.31, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6Z)-2-[amino(methyl)amino]-1-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrimidin-2-yl]-4,7-dimethylnona-2,4,6-triene-1,3-diamine is sourced from PubChem (CID 155424626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).