2-N-(4-methoxypyrimidin-2-yl)-3-methyliminoprop-1-ene-1,2-diamine

C9H13N5O — CID 167589522

IUPAC2-N-(4-methoxypyrimidin-2-yl)-3-methyliminoprop-1-ene-1,2-diamine
SMILESC/N=C/C(=CN)Nc1nccc(OC)n1
InChIInChI=1S/C9H13N5O/c1-11-6-7(5-10)13-9-12-4-3-8(14-9)15-2/h3-6H,10H2,1-2H3,(H,12,13,14)/b7-5?,11-6+
InChIKeyGQVIUHDKEHAATM-UHYUDDSYSA-N
MW207.24 g/mol
LogP0.40
Rot. Bonds4

About 2-N-(4-methoxypyrimidin-2-yl)-3-methyliminoprop-1-ene-1,2-diamine

2-N-(4-methoxypyrimidin-2-yl)-3-methyliminoprop-1-ene-1,2-diamine (PubChem CID 167589522) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-N-(4-methoxypyrimidin-2-yl)-3-methyliminoprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-methoxypyrimidin-2-yl)-3-methyliminoprop-1-ene-1,2-diamine
PubChem CID167589522
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name2-N-(4-methoxypyrimidin-2-yl)-3-methyliminoprop-1-ene-1,2-diamine
SMILESC/N=C/C(=CN)Nc1nccc(OC)n1
InChIInChI=1S/C9H13N5O/c1-11-6-7(5-10)13-9-12-4-3-8(14-9)15-2/h3-6H,10H2,1-2H3,(H,12,13,14)/b7-5?,11-6+
InChIKeyGQVIUHDKEHAATM-UHYUDDSYSA-N
XLogP0.40
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-ethylimino-2-N-(4-methoxypyrimidin-2-yl)prop-1-ene-1,2-diamine
CID 147888333
(E)-2-N-[4-[4-(aminomethyl)-3-methylphenyl]pyrimidin-2-yl]-3-methyliminoprop-1-ene-1,2-diamine
CID 144863361
N-(4-methoxypyrimidin-2-yl)-3-methylbutanamide
CID 130219531
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
2-N-[4-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)pyrimidin-2-yl]-3-methyliminoprop-1-ene-1,2-diamine
CID 174104492
4-N-(4-methoxypyrimidin-2-yl)benzene-1,4-diamine
CID 63214957
3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol
CID 64541292
2-[[2-(4-methoxypyrimidin-2-yl)hydrazinyl]methylidene]propanedinitrile
CID 39322151
ethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate
CID 55207180
1-N-(4-methoxypyrimidin-2-yl)cyclopentane-1,2-diamine
CID 63252268
2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol
CID 112683347
4-methoxy-N-[(E)-pent-3-enyl]pyrimidin-2-amine
CID 115628502

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxypyrimidin-2-yl)-3-methyliminoprop-1-ene-1,2-diamine?
The IUPAC name of 2-N-(4-methoxypyrimidin-2-yl)-3-methyliminoprop-1-ene-1,2-diamine (CID 167589522) is 2-N-(4-methoxypyrimidin-2-yl)-3-methyliminoprop-1-ene-1,2-diamine.
What is the SMILES notation for 2-N-(4-methoxypyrimidin-2-yl)-3-methyliminoprop-1-ene-1,2-diamine?
The canonical SMILES for 2-N-(4-methoxypyrimidin-2-yl)-3-methyliminoprop-1-ene-1,2-diamine is C/N=C/C(=CN)Nc1nccc(OC)n1.
What is the InChIKey of 2-N-(4-methoxypyrimidin-2-yl)-3-methyliminoprop-1-ene-1,2-diamine?
The InChIKey is GQVIUHDKEHAATM-UHYUDDSYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-11-6-7(5-10)13-9-12-4-3-8(14-9)15-2/h3-6H,10H2,1-2H3,(H,12,13,14)/b7-5?,11-6+.
What are the key properties of 2-N-(4-methoxypyrimidin-2-yl)-3-methyliminoprop-1-ene-1,2-diamine?
2-N-(4-methoxypyrimidin-2-yl)-3-methyliminoprop-1-ene-1,2-diamine has a molecular weight of 207.24 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxypyrimidin-2-yl)-3-methyliminoprop-1-ene-1,2-diamine is sourced from PubChem (CID 167589522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).