4-N-(2-methylphenyl)-2-piperidin-1-ylpyrimidine-4,6-diamine

C16H21N5 — CID 101490032

IUPAC4-N-(2-methylphenyl)-2-piperidin-1-ylpyrimidine-4,6-diamine
SMILESCc1ccccc1Nc1cc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C16H21N5/c1-12-7-3-4-8-13(12)18-15-11-14(17)19-16(20-15)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H3,17,18,19,20)
InChIKeyKBXUMUCBGGGZIA-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.10
Rot. Bonds3

About 4-N-(2-methylphenyl)-2-piperidin-1-ylpyrimidine-4,6-diamine

4-N-(2-methylphenyl)-2-piperidin-1-ylpyrimidine-4,6-diamine (PubChem CID 101490032) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-N-(2-methylphenyl)-2-piperidin-1-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methylphenyl)-2-piperidin-1-ylpyrimidine-4,6-diamine
PubChem CID101490032
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name4-N-(2-methylphenyl)-2-piperidin-1-ylpyrimidine-4,6-diamine
SMILESCc1ccccc1Nc1cc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C16H21N5/c1-12-7-3-4-8-13(12)18-15-11-14(17)19-16(20-15)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H3,17,18,19,20)
InChIKeyKBXUMUCBGGGZIA-UHFFFAOYSA-N
XLogP3.10
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922247
N-(2-methoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910270
2-(azepan-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112926722
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112923590
N-(2-methylphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935530
N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine
CID 10063638
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112923632
N-(2-ethoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910272
2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112920449
6-methyl-N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909578
4-(2-methylphenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80873141
6,7-dimethoxy-N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine;hydrochloride
CID 162676134

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylphenyl)-2-piperidin-1-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methylphenyl)-2-piperidin-1-ylpyrimidine-4,6-diamine (CID 101490032) is 4-N-(2-methylphenyl)-2-piperidin-1-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methylphenyl)-2-piperidin-1-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methylphenyl)-2-piperidin-1-ylpyrimidine-4,6-diamine is Cc1ccccc1Nc1cc(N)nc(N2CCCCC2)n1.
What is the InChIKey of 4-N-(2-methylphenyl)-2-piperidin-1-ylpyrimidine-4,6-diamine?
The InChIKey is KBXUMUCBGGGZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-12-7-3-4-8-13(12)18-15-11-14(17)19-16(20-15)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H3,17,18,19,20).
What are the key properties of 4-N-(2-methylphenyl)-2-piperidin-1-ylpyrimidine-4,6-diamine?
4-N-(2-methylphenyl)-2-piperidin-1-ylpyrimidine-4,6-diamine has a molecular weight of 283.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylphenyl)-2-piperidin-1-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 101490032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).