1-[6-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-3-N-(2-methoxyphenyl)-1,2,4-triazole-3,5-diamine

C19H25N9O — CID 58976306

IUPAC1-[6-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-3-N-(2-methoxyphenyl)-1,2,4-triazole-3,5-diamine
SMILESCOc1ccccc1Nc1nc(N)n(-c2cc(N3CCC(N(C)C)C3)ncn2)n1
InChIInChI=1S/C19H25N9O/c1-26(2)13-8-9-27(11-13)16-10-17(22-12-21-16)28-18(20)24-19(25-28)23-14-6-4-5-7-15(14)29-3/h4-7,10,12-13H,8-9,11H2,1-3H3,(H3,20,23,24,25)
InChIKeyFBOJPMDVMCIIDD-UHFFFAOYSA-N
MW395.47 g/mol
LogP1.53
Rot. Bonds6

About 1-[6-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-3-N-(2-methoxyphenyl)-1,2,4-triazole-3,5-diamine

1-[6-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-3-N-(2-methoxyphenyl)-1,2,4-triazole-3,5-diamine (PubChem CID 58976306) has the molecular formula C19H25N9O and a molecular weight of 395.47 g/mol. Its IUPAC name is 1-[6-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-3-N-(2-methoxyphenyl)-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name1-[6-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-3-N-(2-methoxyphenyl)-1,2,4-triazole-3,5-diamine
PubChem CID58976306
Molecular FormulaC19H25N9O
Molecular Weight395.47 g/mol
Exact Mass395.22
IUPAC Name1-[6-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-3-N-(2-methoxyphenyl)-1,2,4-triazole-3,5-diamine
SMILESCOc1ccccc1Nc1nc(N)n(-c2cc(N3CCC(N(C)C)C3)ncn2)n1
InChIInChI=1S/C19H25N9O/c1-26(2)13-8-9-27(11-13)16-10-17(22-12-21-16)28-18(20)24-19(25-28)23-14-6-4-5-7-15(14)29-3/h4-7,10,12-13H,8-9,11H2,1-3H3,(H3,20,23,24,25)
InChIKeyFBOJPMDVMCIIDD-UHFFFAOYSA-N
XLogP1.53
TPSA110.25 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[6-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-3-N-(2-methoxyphenyl)-1,2,4-triazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-(2-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine
CID 58976674
3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine
CID 58976139
3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976216
3-N-(2-methoxyphenyl)-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine
CID 58976859
3-N-(5-chloro-2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976622
6-N-(2-methoxyphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19148204
[4-[5-amino-3-(2-methoxyanilino)-1,2,4-triazol-1-yl]phenyl]-piperidin-1-ylmethanone
CID 58976439
1-(6-anilinopyrimidin-4-yl)-3-N-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 58976644
6-[5-amino-3-(2,4-dimethoxyanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
CID 58976103
6-[3-(dimethylamino)piperidin-1-yl]pyrimidin-4-amine
CID 80856163
N-(2-methoxyphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926091
3-N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-6-methoxybenzene-1,3-diamine
CID 154245636

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-3-N-(2-methoxyphenyl)-1,2,4-triazole-3,5-diamine?
The IUPAC name of 1-[6-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-3-N-(2-methoxyphenyl)-1,2,4-triazole-3,5-diamine (CID 58976306) is 1-[6-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-3-N-(2-methoxyphenyl)-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 1-[6-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-3-N-(2-methoxyphenyl)-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 1-[6-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-3-N-(2-methoxyphenyl)-1,2,4-triazole-3,5-diamine is COc1ccccc1Nc1nc(N)n(-c2cc(N3CCC(N(C)C)C3)ncn2)n1.
What is the InChIKey of 1-[6-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-3-N-(2-methoxyphenyl)-1,2,4-triazole-3,5-diamine?
The InChIKey is FBOJPMDVMCIIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N9O/c1-26(2)13-8-9-27(11-13)16-10-17(22-12-21-16)28-18(20)24-19(25-28)23-14-6-4-5-7-15(14)29-3/h4-7,10,12-13H,8-9,11H2,1-3H3,(H3,20,23,24,25).
What are the key properties of 1-[6-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-3-N-(2-methoxyphenyl)-1,2,4-triazole-3,5-diamine?
1-[6-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-3-N-(2-methoxyphenyl)-1,2,4-triazole-3,5-diamine has a molecular weight of 395.47 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-3-N-(2-methoxyphenyl)-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 58976306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).