2-[cyclopropyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one

C12H18N4O — CID 170731645

IUPAC2-[cyclopropyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESO=c1ccnc(N(C2CC2)C2CCCNC2)[nH]1
InChIInChI=1S/C12H18N4O/c17-11-5-7-14-12(15-11)16(9-3-4-9)10-2-1-6-13-8-10/h5,7,9-10,13H,1-4,6,8H2,(H,14,15,17)
InChIKeySSZYQSUTUGKZFP-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.49
Rot. Bonds3

About 2-[cyclopropyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one

2-[cyclopropyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 170731645) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[cyclopropyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclopropyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID170731645
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[cyclopropyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESO=c1ccnc(N(C2CC2)C2CCCNC2)[nH]1
InChIInChI=1S/C12H18N4O/c17-11-5-7-14-12(15-11)16(9-3-4-9)10-2-1-6-13-8-10/h5,7,9-10,13H,1-4,6,8H2,(H,14,15,17)
InChIKeySSZYQSUTUGKZFP-UHFFFAOYSA-N
XLogP0.49
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclopropyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one (CID 170731645) is 2-[cyclopropyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclopropyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclopropyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one is O=c1ccnc(N(C2CC2)C2CCCNC2)[nH]1.
What is the InChIKey of 2-[cyclopropyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is SSZYQSUTUGKZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c17-11-5-7-14-12(15-11)16(9-3-4-9)10-2-1-6-13-8-10/h5,7,9-10,13H,1-4,6,8H2,(H,14,15,17).
What are the key properties of 2-[cyclopropyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one?
2-[cyclopropyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 234.30 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 170731645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).