4-N-[3-(dimethylamino)propyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

C15H22N6 — CID 112887601

IUPAC4-N-[3-(dimethylamino)propyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(C)CCCNc1ccnc(NCc2ccncc2)n1
InChIInChI=1S/C15H22N6/c1-21(2)11-3-7-17-14-6-10-18-15(20-14)19-12-13-4-8-16-9-5-13/h4-6,8-10H,3,7,11-12H2,1-2H3,(H2,17,18,19,20)
InChIKeySMBWEXMDMKEHTI-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.85
Rot. Bonds8

About 4-N-[3-(dimethylamino)propyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

4-N-[3-(dimethylamino)propyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112887601) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112887601
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name4-N-[3-(dimethylamino)propyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(C)CCCNc1ccnc(NCc2ccncc2)n1
InChIInChI=1S/C15H22N6/c1-21(2)11-3-7-17-14-6-10-18-15(20-14)19-12-13-4-8-16-9-5-13/h4-6,8-10H,3,7,11-12H2,1-2H3,(H2,17,18,19,20)
InChIKeySMBWEXMDMKEHTI-UHFFFAOYSA-N
XLogP1.85
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-[3-(dimethylamino)propyl]-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112887588
4-N-butyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112882829
2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887597
2-N-[(2-chlorophenyl)methyl]-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887593
N-(2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 80908527
4-N-[3-(dimethylamino)propyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112887656
4-N-[3-(dimethylamino)propyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 23653485
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112912785
4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893825
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893834
2-N,2-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 64829676
4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 23652592

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (CID 112887601) is 4-N-[3-(dimethylamino)propyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is CN(C)CCCNc1ccnc(NCc2ccncc2)n1.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is SMBWEXMDMKEHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-21(2)11-3-7-17-14-6-10-18-15(20-14)19-12-13-4-8-16-9-5-13/h4-6,8-10H,3,7,11-12H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-[3-(dimethylamino)propyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
4-N-[3-(dimethylamino)propyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112887601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).