2-(2-methoxy-2-methylpropoxy)-4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine

C19H27N5O2 — CID 89358698

IUPAC2-(2-methoxy-2-methylpropoxy)-4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine
SMILESCOC(C)(C)COc1nc(N/N=C/c2cccc(C)c2)cc(N(C)C)n1
InChIInChI=1S/C19H27N5O2/c1-14-8-7-9-15(10-14)12-20-23-16-11-17(24(4)5)22-18(21-16)26-13-19(2,3)25-6/h7-12H,13H2,1-6H3,(H,21,22,23)/b20-12+
InChIKeyWJZXDSGJBKCNSU-UDWIEESQSA-N
MW357.46 g/mol
LogP3.10
Rot. Bonds8

About 2-(2-methoxy-2-methylpropoxy)-4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine

2-(2-methoxy-2-methylpropoxy)-4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine (PubChem CID 89358698) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-(2-methoxy-2-methylpropoxy)-4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(2-methoxy-2-methylpropoxy)-4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine
PubChem CID89358698
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name2-(2-methoxy-2-methylpropoxy)-4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine
SMILESCOC(C)(C)COc1nc(N/N=C/c2cccc(C)c2)cc(N(C)C)n1
InChIInChI=1S/C19H27N5O2/c1-14-8-7-9-15(10-14)12-20-23-16-11-17(24(4)5)22-18(21-16)26-13-19(2,3)25-6/h7-12H,13H2,1-6H3,(H,21,22,23)/b20-12+
InChIKeyWJZXDSGJBKCNSU-UDWIEESQSA-N
XLogP3.10
TPSA71.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine
CID 11646521
2-[2-(methylamino)ethoxy]-4-N-[(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine
CID 66682212
2-N,4-N-bis[(3-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine
CID 66684301
2-N,4-N-bis[(E)-(3-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine
CID 11537766
6-imidazol-1-yl-2-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidin-4-amine
CID 11494065
3-[6-(dimethylamino)-2-[2-[(3-methylphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]propan-1-ol
CID 66682618
N-[(E)-(3-methylphenyl)methylideneamino]-6-piperidin-1-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-amine
CID 89163617
6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 66681684
2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl morpholine-4-carboxylate
CID 58613205
6-N-[(E)-(3-iodophenyl)methylideneamino]-4-N,4-N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine
CID 143533368
6-N-(2-methoxyethyl)-6-N-methyl-2-N-[(3-methylphenyl)methylideneamino]-4-(2-morpholin-4-ylethoxy)pyridine-2,6-diamine
CID 66682197
N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine
CID 66683532

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-2-methylpropoxy)-4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine?
The IUPAC name of 2-(2-methoxy-2-methylpropoxy)-4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine (CID 89358698) is 2-(2-methoxy-2-methylpropoxy)-4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(2-methoxy-2-methylpropoxy)-4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine?
The canonical SMILES for 2-(2-methoxy-2-methylpropoxy)-4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine is COC(C)(C)COc1nc(N/N=C/c2cccc(C)c2)cc(N(C)C)n1.
What is the InChIKey of 2-(2-methoxy-2-methylpropoxy)-4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine?
The InChIKey is WJZXDSGJBKCNSU-UDWIEESQSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14-8-7-9-15(10-14)12-20-23-16-11-17(24(4)5)22-18(21-16)26-13-19(2,3)25-6/h7-12H,13H2,1-6H3,(H,21,22,23)/b20-12+.
What are the key properties of 2-(2-methoxy-2-methylpropoxy)-4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine?
2-(2-methoxy-2-methylpropoxy)-4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine has a molecular weight of 357.46 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-2-methylpropoxy)-4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine is sourced from PubChem (CID 89358698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).