4-[cyclopropyl(piperidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one

C14H22N4O2 — CID 136805283

IUPAC4-[cyclopropyl(piperidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(CC2CCCCN2)C2CC2)nc[nH]c1=O
InChIInChI=1S/C14H22N4O2/c1-20-12-13(16-9-17-14(12)19)18(11-5-6-11)8-10-4-2-3-7-15-10/h9-11,15H,2-8H2,1H3,(H,16,17,19)
InChIKeySSKRUZMGKVBZNQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.89
Rot. Bonds5

About 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[cyclopropyl(piperidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136805283) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclopropyl(piperidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136805283
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-[cyclopropyl(piperidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(CC2CCCCN2)C2CC2)nc[nH]c1=O
InChIInChI=1S/C14H22N4O2/c1-20-12-13(16-9-17-14(12)19)18(11-5-6-11)8-10-4-2-3-7-15-10/h9-11,15H,2-8H2,1H3,(H,16,17,19)
InChIKeySSKRUZMGKVBZNQ-UHFFFAOYSA-N
XLogP0.89
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136805283) is 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(N(CC2CCCCN2)C2CC2)nc[nH]c1=O.
What is the InChIKey of 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is SSKRUZMGKVBZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-20-12-13(16-9-17-14(12)19)18(11-5-6-11)8-10-4-2-3-7-15-10/h9-11,15H,2-8H2,1H3,(H,16,17,19).
What are the key properties of 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[cyclopropyl(piperidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 278.36 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136805283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).