4-N-(1-benzylpiperidin-4-yl)-6-N-(2-methylpyrazol-3-yl)pyrimidine-4,6-diamine

C20H25N7 — CID 117086261

IUPAC4-N-(1-benzylpiperidin-4-yl)-6-N-(2-methylpyrazol-3-yl)pyrimidine-4,6-diamine
SMILESCn1nccc1Nc1cc(NC2CCN(Cc3ccccc3)CC2)ncn1
InChIInChI=1S/C20H25N7/c1-26-20(7-10-23-26)25-19-13-18(21-15-22-19)24-17-8-11-27(12-9-17)14-16-5-3-2-4-6-16/h2-7,10,13,15,17H,8-9,11-12,14H2,1H3,(H2,21,22,24,25)
InChIKeyCFPHKPUAWPJKRP-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.03
Rot. Bonds6

About 4-N-(1-benzylpiperidin-4-yl)-6-N-(2-methylpyrazol-3-yl)pyrimidine-4,6-diamine

4-N-(1-benzylpiperidin-4-yl)-6-N-(2-methylpyrazol-3-yl)pyrimidine-4,6-diamine (PubChem CID 117086261) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-N-(1-benzylpiperidin-4-yl)-6-N-(2-methylpyrazol-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-benzylpiperidin-4-yl)-6-N-(2-methylpyrazol-3-yl)pyrimidine-4,6-diamine
PubChem CID117086261
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name4-N-(1-benzylpiperidin-4-yl)-6-N-(2-methylpyrazol-3-yl)pyrimidine-4,6-diamine
SMILESCn1nccc1Nc1cc(NC2CCN(Cc3ccccc3)CC2)ncn1
InChIInChI=1S/C20H25N7/c1-26-20(7-10-23-26)25-19-13-18(21-15-22-19)24-17-8-11-27(12-9-17)14-16-5-3-2-4-6-16/h2-7,10,13,15,17H,8-9,11-12,14H2,1H3,(H2,21,22,24,25)
InChIKeyCFPHKPUAWPJKRP-UHFFFAOYSA-N
XLogP3.03
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(1-benzylpiperidin-4-yl)-6-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 117081921
1-(1-benzylpiperidin-4-yl)-3-(2-methylpyrazol-3-yl)urea
CID 108813846
N-(1-benzylpiperidin-4-yl)-1-methylindazol-5-amine
CID 22933598
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-ethoxypyrimidin-4-amine
CID 133490649
1-benzyl-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidin-4-amine
CID 75430820
4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 117092145
N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine
CID 29049157
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126876394
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea
CID 72935999

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzylpiperidin-4-yl)-6-N-(2-methylpyrazol-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-benzylpiperidin-4-yl)-6-N-(2-methylpyrazol-3-yl)pyrimidine-4,6-diamine (CID 117086261) is 4-N-(1-benzylpiperidin-4-yl)-6-N-(2-methylpyrazol-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-benzylpiperidin-4-yl)-6-N-(2-methylpyrazol-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-benzylpiperidin-4-yl)-6-N-(2-methylpyrazol-3-yl)pyrimidine-4,6-diamine is Cn1nccc1Nc1cc(NC2CCN(Cc3ccccc3)CC2)ncn1.
What is the InChIKey of 4-N-(1-benzylpiperidin-4-yl)-6-N-(2-methylpyrazol-3-yl)pyrimidine-4,6-diamine?
The InChIKey is CFPHKPUAWPJKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c1-26-20(7-10-23-26)25-19-13-18(21-15-22-19)24-17-8-11-27(12-9-17)14-16-5-3-2-4-6-16/h2-7,10,13,15,17H,8-9,11-12,14H2,1H3,(H2,21,22,24,25).
What are the key properties of 4-N-(1-benzylpiperidin-4-yl)-6-N-(2-methylpyrazol-3-yl)pyrimidine-4,6-diamine?
4-N-(1-benzylpiperidin-4-yl)-6-N-(2-methylpyrazol-3-yl)pyrimidine-4,6-diamine has a molecular weight of 363.47 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-benzylpiperidin-4-yl)-6-N-(2-methylpyrazol-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 117086261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).