6-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine

C12H15N5 — CID 112726063

IUPAC6-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NC(C)c2ccncc2)nc(N)n1
InChIInChI=1S/C12H15N5/c1-8-7-11(17-12(13)15-8)16-9(2)10-3-5-14-6-4-10/h3-7,9H,1-2H3,(H3,13,15,16,17)
InChIKeyQGPGIZZVKGZOTP-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.94
Rot. Bonds3

About 6-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine

6-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112726063) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 6-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID112726063
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name6-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NC(C)c2ccncc2)nc(N)n1
InChIInChI=1S/C12H15N5/c1-8-7-11(17-12(13)15-8)16-9(2)10-3-5-14-6-4-10/h3-7,9H,1-2H3,(H3,13,15,16,17)
InChIKeyQGPGIZZVKGZOTP-UHFFFAOYSA-N
XLogP1.94
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 113221029
6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 112724390
6-methyl-4-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 39782311
4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine
CID 80769538
4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112726778
6-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
CID 66325049
6-N-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80967059
2-N-(1-pyridin-4-ylethyl)pyridine-2,5-diamine
CID 43524034
3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine
CID 43524021
2,6-dimethyl-4-(1-pyridin-4-ylethylamino)pyridine-3-carbonitrile
CID 81060922
4-N-[1-(4-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80801489
6-chloro-2-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80953990

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 112726063) is 6-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine is Cc1cc(NC(C)c2ccncc2)nc(N)n1.
What is the InChIKey of 6-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is QGPGIZZVKGZOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-8-7-11(17-12(13)15-8)16-9(2)10-3-5-14-6-4-10/h3-7,9H,1-2H3,(H3,13,15,16,17).
What are the key properties of 6-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
6-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 229.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112726063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).