4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

C15H22N6 — CID 112912785

IUPAC4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCN(C)C)nc(NCc2ccncc2)n1
InChIInChI=1S/C15H22N6/c1-12-10-14(17-8-9-21(2)3)20-15(19-12)18-11-13-4-6-16-7-5-13/h4-7,10H,8-9,11H2,1-3H3,(H2,17,18,19,20)
InChIKeyKDQNCHSHNMFAHB-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.77
Rot. Bonds7

About 4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112912785) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112912785
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCN(C)C)nc(NCc2ccncc2)n1
InChIInChI=1S/C15H22N6/c1-12-10-14(17-8-9-21(2)3)20-15(19-12)18-11-13-4-6-16-7-5-13/h4-7,10H,8-9,11H2,1-3H3,(H2,17,18,19,20)
InChIKeyKDQNCHSHNMFAHB-UHFFFAOYSA-N
XLogP1.77
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916486
2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112912951
6-N-[2-(dimethylamino)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112857392
6-N-[2-(dimethylamino)ethyl]-2-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112880717
2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112913006
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112912839
6-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916211
4-N-[3-(dimethylamino)propyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112887601
6-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112913144
4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919933
4-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 117079433
4-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80777282

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (CID 112912785) is 4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is Cc1cc(NCCN(C)C)nc(NCc2ccncc2)n1.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is KDQNCHSHNMFAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-12-10-14(17-8-9-21(2)3)20-15(19-12)18-11-13-4-6-16-7-5-13/h4-7,10H,8-9,11H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112912785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).