4-N,6-dimethyl-2-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-2,4-diamine

C19H27N5 — CID 95891656

IUPAC4-N,6-dimethyl-2-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-2,4-diamine
SMILESCNc1cc(C)nc(N[C@@H]2CCCN(CCc3ccccc3)C2)n1
InChIInChI=1S/C19H27N5/c1-15-13-18(20-2)23-19(21-15)22-17-9-6-11-24(14-17)12-10-16-7-4-3-5-8-16/h3-5,7-8,13,17H,6,9-12,14H2,1-2H3,(H2,20,21,22,23)/t17-/m1/s1
InChIKeyOAROLNUIMXEFDR-QGZVFWFLSA-N
MW325.46 g/mol
LogP2.95
Rot. Bonds6

About 4-N,6-dimethyl-2-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-2,4-diamine

4-N,6-dimethyl-2-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-2,4-diamine (PubChem CID 95891656) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-N,6-dimethyl-2-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,6-dimethyl-2-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-2,4-diamine
PubChem CID95891656
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name4-N,6-dimethyl-2-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-2,4-diamine
SMILESCNc1cc(C)nc(N[C@@H]2CCCN(CCc3ccccc3)C2)n1
InChIInChI=1S/C19H27N5/c1-15-13-18(20-2)23-19(21-15)22-17-9-6-11-24(14-17)12-10-16-7-4-3-5-8-16/h3-5,7-8,13,17H,6,9-12,14H2,1-2H3,(H2,20,21,22,23)/t17-/m1/s1
InChIKeyOAROLNUIMXEFDR-QGZVFWFLSA-N
XLogP2.95
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N,6-dimethyl-2-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrimidin-2-amine
CID 70779671
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
2-N,6-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80797834
(3R)-N-phenyl-1-(2-pyridin-4-ylethyl)piperidin-3-amine
CID 124590956
2-amino-6-methyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 42309159
5,7-dimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 25456242
5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine
CID 95813876
N-(3-methylphenyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 61211943
N-(1-ethylpiperidin-3-yl)-4-methylquinolin-2-amine
CID 122561309
2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 117084092
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
N-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-prop-2-enylpyrimidin-2-amine
CID 141133441

Frequently Asked Questions

What is the IUPAC name of 4-N,6-dimethyl-2-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,6-dimethyl-2-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-2,4-diamine (CID 95891656) is 4-N,6-dimethyl-2-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,6-dimethyl-2-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,6-dimethyl-2-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-2,4-diamine is CNc1cc(C)nc(N[C@@H]2CCCN(CCc3ccccc3)C2)n1.
What is the InChIKey of 4-N,6-dimethyl-2-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-2,4-diamine?
The InChIKey is OAROLNUIMXEFDR-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N5/c1-15-13-18(20-2)23-19(21-15)22-17-9-6-11-24(14-17)12-10-16-7-4-3-5-8-16/h3-5,7-8,13,17H,6,9-12,14H2,1-2H3,(H2,20,21,22,23)/t17-/m1/s1.
What are the key properties of 4-N,6-dimethyl-2-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-2,4-diamine?
4-N,6-dimethyl-2-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-2,4-diamine has a molecular weight of 325.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-dimethyl-2-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 95891656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).