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

C21H27N7 — CID 117081921

IUPAC4-N-(1-benzylpiperidin-4-yl)-6-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(NC2CCN(Cc3ccccc3)CC2)nc(Nc2ccnn2C)n1
InChIInChI=1S/C21H27N7/c1-16-14-19(25-21(23-16)26-20-8-11-22-27(20)2)24-18-9-12-28(13-10-18)15-17-6-4-3-5-7-17/h3-8,11,14,18H,9-10,12-13,15H2,1-2H3,(H2,23,24,25,26)
InChIKeyPPOVLEBKFNVRFN-UHFFFAOYSA-N
MW377.50 g/mol
LogP3.34
Rot. Bonds6

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

4-N-(1-benzylpiperidin-4-yl)-6-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 117081921) has the molecular formula C21H27N7 and a molecular weight of 377.50 g/mol. Its IUPAC name is 4-N-(1-benzylpiperidin-4-yl)-6-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-benzylpiperidin-4-yl)-6-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID117081921
Molecular FormulaC21H27N7
Molecular Weight377.50 g/mol
Exact Mass377.23
IUPAC Name4-N-(1-benzylpiperidin-4-yl)-6-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(NC2CCN(Cc3ccccc3)CC2)nc(Nc2ccnn2C)n1
InChIInChI=1S/C21H27N7/c1-16-14-19(25-21(23-16)26-20-8-11-22-27(20)2)24-18-9-12-28(13-10-18)15-17-6-4-3-5-7-17/h3-8,11,14,18H,9-10,12-13,15H2,1-2H3,(H2,23,24,25,26)
InChIKeyPPOVLEBKFNVRFN-UHFFFAOYSA-N
XLogP3.34
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
4-N-(1-benzylpiperidin-4-yl)-6-N-(2-methylpyrazol-3-yl)pyrimidine-4,6-diamine
CID 117086261
2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 117084092
2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135719651
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
N-(1-benzylpiperidin-4-yl)-1-methylindazol-5-amine
CID 22933598
1-(1-benzylpiperidin-4-yl)-3-(2-methylpyrazol-3-yl)urea
CID 108813846
4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 117092145
4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 83718542
2-(1-benzothiophen-3-yl)-N-(1-benzylpiperidin-4-yl)-6-methylpyrimidin-4-amine
CID 117084596
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine
CID 113400801
1-benzyl-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidin-4-amine
CID 75430820

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzylpiperidin-4-yl)-6-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-benzylpiperidin-4-yl)-6-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine (CID 117081921) is 4-N-(1-benzylpiperidin-4-yl)-6-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-benzylpiperidin-4-yl)-6-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-benzylpiperidin-4-yl)-6-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine is Cc1cc(NC2CCN(Cc3ccccc3)CC2)nc(Nc2ccnn2C)n1.
What is the InChIKey of 4-N-(1-benzylpiperidin-4-yl)-6-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is PPOVLEBKFNVRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7/c1-16-14-19(25-21(23-16)26-20-8-11-22-27(20)2)24-18-9-12-28(13-10-18)15-17-6-4-3-5-7-17/h3-8,11,14,18H,9-10,12-13,15H2,1-2H3,(H2,23,24,25,26).
What are the key properties of 4-N-(1-benzylpiperidin-4-yl)-6-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine?
4-N-(1-benzylpiperidin-4-yl)-6-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 377.50 g/mol, XLogP of 3.34, 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-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 117081921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).