2-methyl-N-(3-methylphenyl)-6-piperazin-1-ylpyrimidin-4-amine

C16H21N5 — CID 99987500

IUPAC2-methyl-N-(3-methylphenyl)-6-piperazin-1-ylpyrimidin-4-amine
SMILESCc1cccc(Nc2cc(N3CCNCC3)nc(C)n2)c1
InChIInChI=1S/C16H21N5/c1-12-4-3-5-14(10-12)20-15-11-16(19-13(2)18-15)21-8-6-17-7-9-21/h3-5,10-11,17H,6-9H2,1-2H3,(H,18,19,20)
InChIKeySAUYSYFYVTXVSK-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.25
Rot. Bonds3

About 2-methyl-N-(3-methylphenyl)-6-piperazin-1-ylpyrimidin-4-amine

2-methyl-N-(3-methylphenyl)-6-piperazin-1-ylpyrimidin-4-amine (PubChem CID 99987500) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-methyl-N-(3-methylphenyl)-6-piperazin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methylphenyl)-6-piperazin-1-ylpyrimidin-4-amine
PubChem CID99987500
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name2-methyl-N-(3-methylphenyl)-6-piperazin-1-ylpyrimidin-4-amine
SMILESCc1cccc(Nc2cc(N3CCNCC3)nc(C)n2)c1
InChIInChI=1S/C16H21N5/c1-12-4-3-5-14(10-12)20-15-11-16(19-13(2)18-15)21-8-6-17-7-9-21/h3-5,10-11,17H,6-9H2,1-2H3,(H,18,19,20)
InChIKeySAUYSYFYVTXVSK-UHFFFAOYSA-N
XLogP2.25
TPSA53.08 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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(3-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876539
N-(3-chlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868516
2-methyl-4-N-(3-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876864
2-methyl-6-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112868540
N-(3-chlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869918
N-(4-methylphenyl)-6-piperazin-1-ylpyridin-2-amine
CID 122624208
2-methylsulfonyl-N-phenyl-6-piperazin-1-ylpyrimidin-4-amine
CID 170533663
2-methyl-6-(3-methylanilino)pyrimidine-4-carboxylic acid
CID 82293662
2-methyl-N-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875519
N-(3-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112874751
3-[[6-(4-acetylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193379
2-methyl-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112869941

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylphenyl)-6-piperazin-1-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(3-methylphenyl)-6-piperazin-1-ylpyrimidin-4-amine (CID 99987500) is 2-methyl-N-(3-methylphenyl)-6-piperazin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(3-methylphenyl)-6-piperazin-1-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(3-methylphenyl)-6-piperazin-1-ylpyrimidin-4-amine is Cc1cccc(Nc2cc(N3CCNCC3)nc(C)n2)c1.
What is the InChIKey of 2-methyl-N-(3-methylphenyl)-6-piperazin-1-ylpyrimidin-4-amine?
The InChIKey is SAUYSYFYVTXVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-12-4-3-5-14(10-12)20-15-11-16(19-13(2)18-15)21-8-6-17-7-9-21/h3-5,10-11,17H,6-9H2,1-2H3,(H,18,19,20).
What are the key properties of 2-methyl-N-(3-methylphenyl)-6-piperazin-1-ylpyrimidin-4-amine?
2-methyl-N-(3-methylphenyl)-6-piperazin-1-ylpyrimidin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylphenyl)-6-piperazin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 99987500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).