2-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-N-methyl-4-N-(2-phenylpyrimidin-4-yl)pyrimidine-2,4-diamine

C24H26N8 — CID 58617470

IUPAC2-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-N-methyl-4-N-(2-phenylpyrimidin-4-yl)pyrimidine-2,4-diamine
SMILESCN(c1ccnc(NCC(c2cccnc2)N(C)C)n1)c1ccnc(-c2ccccc2)n1
InChIInChI=1S/C24H26N8/c1-31(2)20(19-10-7-13-25-16-19)17-28-24-27-15-12-22(30-24)32(3)21-11-14-26-23(29-21)18-8-5-4-6-9-18/h4-16,20H,17H2,1-3H3,(H,27,28,30)
InChIKeyRWJAHUZKSRGUBE-UHFFFAOYSA-N
MW426.53 g/mol
LogP3.81
Rot. Bonds8

About 2-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-N-methyl-4-N-(2-phenylpyrimidin-4-yl)pyrimidine-2,4-diamine

2-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-N-methyl-4-N-(2-phenylpyrimidin-4-yl)pyrimidine-2,4-diamine (PubChem CID 58617470) has the molecular formula C24H26N8 and a molecular weight of 426.53 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-N-methyl-4-N-(2-phenylpyrimidin-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-N-methyl-4-N-(2-phenylpyrimidin-4-yl)pyrimidine-2,4-diamine
PubChem CID58617470
Molecular FormulaC24H26N8
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC Name2-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-N-methyl-4-N-(2-phenylpyrimidin-4-yl)pyrimidine-2,4-diamine
SMILESCN(c1ccnc(NCC(c2cccnc2)N(C)C)n1)c1ccnc(-c2ccccc2)n1
InChIInChI=1S/C24H26N8/c1-31(2)20(19-10-7-13-25-16-19)17-28-24-27-15-12-22(30-24)32(3)21-11-14-26-23(29-21)18-8-5-4-6-9-18/h4-16,20H,17H2,1-3H3,(H,27,28,30)
InChIKeyRWJAHUZKSRGUBE-UHFFFAOYSA-N
XLogP3.81
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-N-[2-(2-chlorophenyl)ethyl]-4-N-methyl-4-N-(2-phenylpyrimidin-4-yl)pyrimidine-2,4-diamine
CID 11553475
2-N-[1-[3-(aminomethyl)phenyl]propan-2-yl]-4-N-methyl-4-N-(2-phenylpyrimidin-4-yl)pyrimidine-2,4-diamine
CID 72999657
2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]-1-pyridin-3-ylethanol
CID 163317563
tert-butyl N-[(1S)-1-[4-[2-[[4-[methyl-(2-phenylpyrimidin-4-yl)amino]pyrimidin-2-yl]amino]ethyl]phenyl]prop-2-ynyl]carbamate
CID 143209423
2-(dimethylamino)-2-pyridin-3-ylethanol
CID 54775729
1-N,1-N,3-trimethyl-1-pyridin-3-ylbutane-1,3-diamine
CID 116905090
3-(dimethylamino)-3-pyridin-3-ylpropanoic acid
CID 64526600
1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine
CID 47012924
(3S)-4-methyl-3-[[4-[methyl-(2-phenylpyrimidin-4-yl)amino]pyrimidin-2-yl]amino]-1-morpholin-4-ylpentan-1-one
CID 58617483
N'-(4-methoxypyrimidin-2-yl)-N,N-dimethyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 102555419
tert-butyl N-[1-[3-[2-[[4-methyl-6-[methyl-(2-phenylpyrimidin-4-yl)amino]pyrimidin-2-yl]amino]propyl]phenyl]ethyl]carbamate
CID 91312407
4-N-methyl-2-N-[(2S)-1-[3-(2-methyl-4H-pyrimidin-3-yl)phenyl]propan-2-yl]-4-N-(2-phenylpyrimidin-4-yl)pyrimidine-2,4-diamine
CID 143209404

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-N-methyl-4-N-(2-phenylpyrimidin-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-N-methyl-4-N-(2-phenylpyrimidin-4-yl)pyrimidine-2,4-diamine (CID 58617470) is 2-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-N-methyl-4-N-(2-phenylpyrimidin-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-N-methyl-4-N-(2-phenylpyrimidin-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-N-methyl-4-N-(2-phenylpyrimidin-4-yl)pyrimidine-2,4-diamine is CN(c1ccnc(NCC(c2cccnc2)N(C)C)n1)c1ccnc(-c2ccccc2)n1.
What is the InChIKey of 2-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-N-methyl-4-N-(2-phenylpyrimidin-4-yl)pyrimidine-2,4-diamine?
The InChIKey is RWJAHUZKSRGUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8/c1-31(2)20(19-10-7-13-25-16-19)17-28-24-27-15-12-22(30-24)32(3)21-11-14-26-23(29-21)18-8-5-4-6-9-18/h4-16,20H,17H2,1-3H3,(H,27,28,30).
What are the key properties of 2-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-N-methyl-4-N-(2-phenylpyrimidin-4-yl)pyrimidine-2,4-diamine?
2-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-N-methyl-4-N-(2-phenylpyrimidin-4-yl)pyrimidine-2,4-diamine has a molecular weight of 426.53 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-N-methyl-4-N-(2-phenylpyrimidin-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 58617470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).