6-(3-methylpiperidin-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine

C18H25N5 — CID 19137988

IUPAC6-(3-methylpiperidin-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
SMILESCC1CCCN(c2ncnc(NCCc3ccccc3)c2N)C1
InChIInChI=1S/C18H25N5/c1-14-6-5-11-23(12-14)18-16(19)17(21-13-22-18)20-10-9-15-7-3-2-4-8-15/h2-4,7-8,13-14H,5-6,9-12,19H2,1H3,(H,20,21,22)
InChIKeyFNBXJOWGRDOAOY-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.95
Rot. Bonds5

About 6-(3-methylpiperidin-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine

6-(3-methylpiperidin-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine (PubChem CID 19137988) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 6-(3-methylpiperidin-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(3-methylpiperidin-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
PubChem CID19137988
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name6-(3-methylpiperidin-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
SMILESCC1CCCN(c2ncnc(NCCc3ccccc3)c2N)C1
InChIInChI=1S/C18H25N5/c1-14-6-5-11-23(12-14)18-16(19)17(21-13-22-18)20-10-9-15-7-3-2-4-8-15/h2-4,7-8,13-14H,5-6,9-12,19H2,1H3,(H,20,21,22)
InChIKeyFNBXJOWGRDOAOY-UHFFFAOYSA-N
XLogP2.95
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-amino-6-(2-phenylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19138144
4-N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22542521
4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138132
6-(2,3-dihydroindol-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
CID 22543176
4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19137069
ethyl 1-[5-nitro-6-(2-phenylethylamino)pyrimidin-4-yl]piperidine-3-carboxylate
CID 23489899
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23480104
ethyl 4-[[5-amino-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 19139956
6-(4-benzylpiperazin-1-yl)-4-N-cyclopentylpyrimidine-4,5-diamine
CID 19139366
dimethyl 5-[[5-amino-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547596
4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138067
4-N-(2-methoxyethyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138606

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpiperidin-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(3-methylpiperidin-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine (CID 19137988) is 6-(3-methylpiperidin-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(3-methylpiperidin-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(3-methylpiperidin-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine is CC1CCCN(c2ncnc(NCCc3ccccc3)c2N)C1.
What is the InChIKey of 6-(3-methylpiperidin-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine?
The InChIKey is FNBXJOWGRDOAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-14-6-5-11-23(12-14)18-16(19)17(21-13-22-18)20-10-9-15-7-3-2-4-8-15/h2-4,7-8,13-14H,5-6,9-12,19H2,1H3,(H,20,21,22).
What are the key properties of 6-(3-methylpiperidin-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine?
6-(3-methylpiperidin-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine has a molecular weight of 311.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpiperidin-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19137988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).