6-propan-2-yl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrimidin-4-amine

C19H27N5 — CID 154735994

IUPAC6-propan-2-yl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESCC(C)c1cc(NC2CCN(C(C)c3ccncc3)CC2)ncn1
InChIInChI=1S/C19H27N5/c1-14(2)18-12-19(22-13-21-18)23-17-6-10-24(11-7-17)15(3)16-4-8-20-9-5-16/h4-5,8-9,12-15,17H,6-7,10-11H2,1-3H3,(H,21,22,23)
InChIKeyCMZJNVBEMOACAT-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.63
Rot. Bonds5

About 6-propan-2-yl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrimidin-4-amine

6-propan-2-yl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 154735994) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 6-propan-2-yl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-propan-2-yl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID154735994
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name6-propan-2-yl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESCC(C)c1cc(NC2CCN(C(C)c3ccncc3)CC2)ncn1
InChIInChI=1S/C19H27N5/c1-14(2)18-12-19(22-13-21-18)23-17-6-10-24(11-7-17)15(3)16-4-8-20-9-5-16/h4-5,8-9,12-15,17H,6-7,10-11H2,1-3H3,(H,21,22,23)
InChIKeyCMZJNVBEMOACAT-UHFFFAOYSA-N
XLogP3.63
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-propan-2-yl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-propan-2-yl-N-(thian-4-yl)pyrimidin-4-amine
CID 115620936
N-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 60860637
2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 90245628
N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine;ethane;piperidine-1-carbaldehyde
CID 144655922
1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone
CID 126724529
8-methoxy-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]quinazolin-4-amine
CID 166259030
1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one
CID 90248807
ethyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241126
N-propyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 60860638
tert-butyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 126849465
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-amine
CID 97107115
6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 126724510

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-propan-2-yl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrimidin-4-amine (CID 154735994) is 6-propan-2-yl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-propan-2-yl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-propan-2-yl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrimidin-4-amine is CC(C)c1cc(NC2CCN(C(C)c3ccncc3)CC2)ncn1.
What is the InChIKey of 6-propan-2-yl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is CMZJNVBEMOACAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-14(2)18-12-19(22-13-21-18)23-17-6-10-24(11-7-17)15(3)16-4-8-20-9-5-16/h4-5,8-9,12-15,17H,6-7,10-11H2,1-3H3,(H,21,22,23).
What are the key properties of 6-propan-2-yl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrimidin-4-amine?
6-propan-2-yl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 325.46 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 154735994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).