2-N,2-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

C12H15N5 — CID 64829676

IUPAC2-N,2-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NCc2ccncc2)n1
InChIInChI=1S/C12H15N5/c1-17(2)12-14-8-5-11(16-12)15-9-10-3-6-13-7-4-10/h3-8H,9H2,1-2H3,(H,14,15,16)
InChIKeyNFJCRXUQJXFJGE-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.55
Rot. Bonds4

About 2-N,2-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

2-N,2-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 64829676) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID64829676
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name2-N,2-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NCc2ccncc2)n1
InChIInChI=1S/C12H15N5/c1-17(2)12-14-8-5-11(16-12)15-9-10-3-6-13-7-4-10/h3-8H,9H2,1-2H3,(H,14,15,16)
InChIKeyNFJCRXUQJXFJGE-UHFFFAOYSA-N
XLogP1.55
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-benzyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112889417
4-N-[(3-chlorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64829885
2-N,2-N-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 64829086
2-N,2-N-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
CID 79492291
4-N-[3-(dimethylamino)propyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112887601
N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 64831444
N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 64828497
4-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112889124
4-N-[(2-methylphenyl)methyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112889699
2-N,2-N-dimethyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 64830673
4-N-butyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112882829
4-N-(5-amino-2,2-dimethylpentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 114149259

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (CID 64829676) is 2-N,2-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is CN(C)c1nccc(NCc2ccncc2)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is NFJCRXUQJXFJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-17(2)12-14-8-5-11(16-12)15-9-10-3-6-13-7-4-10/h3-8H,9H2,1-2H3,(H,14,15,16).
What are the key properties of 2-N,2-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
2-N,2-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 229.29 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 64829676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).