3-[(2-cyclopropylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one

C15H22N4O — CID 133297412

IUPAC3-[(2-cyclopropylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCNc1ccnc(C2CC2)n1)N1CCCCC1
InChIInChI=1S/C15H22N4O/c20-14(19-10-2-1-3-11-19)7-9-16-13-6-8-17-15(18-13)12-4-5-12/h6,8,12H,1-5,7,9-11H2,(H,16,17,18)
InChIKeyMPWRNVYVNOVVSM-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.17
Rot. Bonds5

About 3-[(2-cyclopropylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one

3-[(2-cyclopropylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 133297412) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-[(2-cyclopropylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(2-cyclopropylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID133297412
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-[(2-cyclopropylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCNc1ccnc(C2CC2)n1)N1CCCCC1
InChIInChI=1S/C15H22N4O/c20-14(19-10-2-1-3-11-19)7-9-16-13-6-8-17-15(18-13)12-4-5-12/h6,8,12H,1-5,7,9-11H2,(H,16,17,18)
InChIKeyMPWRNVYVNOVVSM-UHFFFAOYSA-N
XLogP2.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-yl-3-(pyridazin-3-ylamino)propan-1-one
CID 113243711
2-[(2-cyclopropylpyrimidin-4-yl)amino]acetic acid
CID 83830305
6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile
CID 112692141
3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one
CID 136519955
3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propanoic acid
CID 122048200
6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 112685210
3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411675
1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one
CID 109033606
2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
CID 115695339
1-[3-[(2-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-4-ol
CID 133300544
1-(azepan-1-yl)-3-(2,6-dimethylanilino)propan-1-one
CID 109033510
2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 127246548

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[(2-cyclopropylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one (CID 133297412) is 3-[(2-cyclopropylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(2-cyclopropylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(2-cyclopropylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one is O=C(CCNc1ccnc(C2CC2)n1)N1CCCCC1.
What is the InChIKey of 3-[(2-cyclopropylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is MPWRNVYVNOVVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c20-14(19-10-2-1-3-11-19)7-9-16-13-6-8-17-15(18-13)12-4-5-12/h6,8,12H,1-5,7,9-11H2,(H,16,17,18).
What are the key properties of 3-[(2-cyclopropylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one?
3-[(2-cyclopropylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 274.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 133297412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).