[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone

C17H27N5O — CID 72906556

IUPAC[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1cc(NC2CCN(C(=O)N3CCCC3)CC2)ncn1
InChIInChI=1S/C17H27N5O/c1-13(2)15-11-16(19-12-18-15)20-14-5-9-22(10-6-14)17(23)21-7-3-4-8-21/h11-14H,3-10H2,1-2H3,(H,18,19,20)
InChIKeyWFZWVTNWLSCHNC-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.69
Rot. Bonds3

About [4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone

[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 72906556) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is [4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID72906556
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1cc(NC2CCN(C(=O)N3CCCC3)CC2)ncn1
InChIInChI=1S/C17H27N5O/c1-13(2)15-11-16(19-12-18-15)20-14-5-9-22(10-6-14)17(23)21-7-3-4-8-21/h11-14H,3-10H2,1-2H3,(H,18,19,20)
InChIKeyWFZWVTNWLSCHNC-UHFFFAOYSA-N
XLogP2.69
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

Jnj-39758979
CID 24994634
4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 59777341
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 24994635
4-cyclopropyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 42624148
4-tert-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 42624150
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid cyclopentylamide
CID 655094
(3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine
CID 118720433
4-N-cyclopentyl-6-piperidin-4-ylpyrimidine-2,4-diamine
CID 118720440
N,N-dimethyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 73439395
N,N-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 90054668
1-(6-Ethylpyrimidin-4-yl)piperidin-3-amine
CID 54593076
N2,N4,6-triisobutylpyrimidine-2,4-diamine
CID 46880832

Frequently Asked Questions

What is the IUPAC name of [4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone (CID 72906556) is [4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone is CC(C)c1cc(NC2CCN(C(=O)N3CCCC3)CC2)ncn1.
What is the InChIKey of [4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is WFZWVTNWLSCHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-13(2)15-11-16(19-12-18-15)20-14-5-9-22(10-6-14)17(23)21-7-3-4-8-21/h11-14H,3-10H2,1-2H3,(H,18,19,20).
What are the key properties of [4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone?
[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 317.44 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 72906556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).