2-cyclopropyl-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one

C15H22N4O — CID 136672451

IUPAC2-cyclopropyl-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1cc(N(CC2CCCN2)C2CC2)nc(C2CC2)[nH]1
InChIInChI=1S/C15H22N4O/c20-14-8-13(17-15(18-14)10-3-4-10)19(12-5-6-12)9-11-2-1-7-16-11/h8,10-12,16H,1-7,9H2,(H,17,18,20)
InChIKeyUGDQOCVZDNWPGV-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.37
Rot. Bonds5

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

2-cyclopropyl-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136672451) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136672451
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-cyclopropyl-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1cc(N(CC2CCCN2)C2CC2)nc(C2CC2)[nH]1
InChIInChI=1S/C15H22N4O/c20-14-8-13(17-15(18-14)10-3-4-10)19(12-5-6-12)9-11-2-1-7-16-11/h8,10-12,16H,1-7,9H2,(H,17,18,20)
InChIKeyUGDQOCVZDNWPGV-UHFFFAOYSA-N
XLogP1.37
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84687778
4-amino-2-[amino(cyclopropyl)methyl]-1H-pyrimidin-6-one
CID 136077492
4-amino-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 136077850
2-(1-aminoethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136326817
4-[(2-amino-1-cyclopentylethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136672017
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136672452
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136672455
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136672456
4-(3-amino-4-methylpyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136677202
4-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136677203
4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136677207
4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136689846

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136672451) is 2-cyclopropyl-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is O=c1cc(N(CC2CCCN2)C2CC2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is UGDQOCVZDNWPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c20-14-8-13(17-15(18-14)10-3-4-10)19(12-5-6-12)9-11-2-1-7-16-11/h8,10-12,16H,1-7,9H2,(H,17,18,20).
What are the key properties of 2-cyclopropyl-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 274.37 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136672451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).