6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine

C18H27N5O2 — CID 19141579

IUPAC6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
SMILESCOCCN(CCOC)c1ncnc(Nc2ccc(C)cc2C)c1N
InChIInChI=1S/C18H27N5O2/c1-13-5-6-15(14(2)11-13)22-17-16(19)18(21-12-20-17)23(7-9-24-3)8-10-25-4/h5-6,11-12H,7-10,19H2,1-4H3,(H,20,21,22)
InChIKeyNTLYXRNYXNADRI-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.52
Rot. Bonds9

About 6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine

6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine (PubChem CID 19141579) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
PubChem CID19141579
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
SMILESCOCCN(CCOC)c1ncnc(Nc2ccc(C)cc2C)c1N
InChIInChI=1S/C18H27N5O2/c1-13-5-6-15(14(2)11-13)22-17-16(19)18(21-12-20-17)23(7-9-24-3)8-10-25-4/h5-6,11-12H,7-10,19H2,1-4H3,(H,20,21,22)
InChIKeyNTLYXRNYXNADRI-UHFFFAOYSA-N
XLogP2.52
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-(2,4-dimethylphenyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine
CID 19136733
6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19140933
4-N,4-N-bis(2-methoxyethyl)-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19141684
6-N-(3,4-difluorophenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19141696
4-N-(2,4-dimethylphenyl)-6-hydrazinylpyrimidine-4,5-diamine
CID 19143332
6-N-(2,4-dimethylphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547014
4-N,4-N-bis(2-methoxyethyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19141594
N-[4-[[5-amino-6-[bis(2-methoxyethyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 19141681
6-N-(4-butoxyphenyl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19142974
6-N-cyclopentyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19141697
2-[[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile
CID 22541854
6-N-(2,4-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19143282

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine (CID 19141579) is 6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine is COCCN(CCOC)c1ncnc(Nc2ccc(C)cc2C)c1N.
What is the InChIKey of 6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine?
The InChIKey is NTLYXRNYXNADRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-13-5-6-15(14(2)11-13)22-17-16(19)18(21-12-20-17)23(7-9-24-3)8-10-25-4/h5-6,11-12H,7-10,19H2,1-4H3,(H,20,21,22).
What are the key properties of 6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine?
6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine has a molecular weight of 345.45 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19141579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).