6-methyl-2-N-(3-methylbutyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

C16H23N5 — CID 112919132

IUPAC6-methyl-2-N-(3-methylbutyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccccn2)nc(NCCC(C)C)n1
InChIInChI=1S/C16H23N5/c1-12(2)7-9-18-16-20-13(3)10-15(21-16)19-11-14-6-4-5-8-17-14/h4-6,8,10,12H,7,9,11H2,1-3H3,(H2,18,19,20,21)
InChIKeyLSRWZXZTQYZGHR-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.25
Rot. Bonds7

About 6-methyl-2-N-(3-methylbutyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

6-methyl-2-N-(3-methylbutyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112919132) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-methyl-2-N-(3-methylbutyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-(3-methylbutyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112919132
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name6-methyl-2-N-(3-methylbutyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccccn2)nc(NCCC(C)C)n1
InChIInChI=1S/C16H23N5/c1-12(2)7-9-18-16-20-13(3)10-15(21-16)19-11-14-6-4-5-8-17-14/h4-6,8,10,12H,7,9,11H2,1-3H3,(H2,18,19,20,21)
InChIKeyLSRWZXZTQYZGHR-UHFFFAOYSA-N
XLogP3.25
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-benzyl-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112915471
4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112915511
6-methyl-2-N-(4-propan-2-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919161
6-methyl-4-N-(2-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919252
6-methyl-2-N-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919143
2-N-[(2-fluorophenyl)methyl]-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112917338
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112917858
2-N-(2,5-dimethylphenyl)-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919151
4-N-(3,4-dimethylphenyl)-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919308
2-chloro-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 62476257
2-N-(4-bromophenyl)-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919180
4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919258

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-(3-methylbutyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-(3-methylbutyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 112919132) is 6-methyl-2-N-(3-methylbutyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-(3-methylbutyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-(3-methylbutyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is Cc1cc(NCc2ccccn2)nc(NCCC(C)C)n1.
What is the InChIKey of 6-methyl-2-N-(3-methylbutyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is LSRWZXZTQYZGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12(2)7-9-18-16-20-13(3)10-15(21-16)19-11-14-6-4-5-8-17-14/h4-6,8,10,12H,7,9,11H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 6-methyl-2-N-(3-methylbutyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
6-methyl-2-N-(3-methylbutyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 285.39 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-(3-methylbutyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112919132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).