2-cyclopropyl-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one

C14H22N4O — CID 136978098

IUPAC2-cyclopropyl-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCCCN(c1cc(=O)[nH]c(C2CC2)n1)C1CCNC1
InChIInChI=1S/C14H22N4O/c1-2-7-18(11-5-6-15-9-11)12-8-13(19)17-14(16-12)10-3-4-10/h8,10-11,15H,2-7,9H2,1H3,(H,16,17,19)
InChIKeyRDRSBTYJCIEPLV-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.23
Rot. Bonds5

About 2-cyclopropyl-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136978098) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136978098
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-cyclopropyl-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCCCN(c1cc(=O)[nH]c(C2CC2)n1)C1CCNC1
InChIInChI=1S/C14H22N4O/c1-2-7-18(11-5-6-15-9-11)12-8-13(19)17-14(16-12)10-3-4-10/h8,10-11,15H,2-7,9H2,1H3,(H,16,17,19)
InChIKeyRDRSBTYJCIEPLV-UHFFFAOYSA-N
XLogP1.23
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile
CID 136972967
5-methyl-7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283178
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 137009357
5-methyl-N-propyl-N-pyrrolidin-3-ylpyridazin-3-amine
CID 106550166
2-ethyl-4-[ethyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136978140
4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63304533
6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 106973223
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 137009112
6-chloro-N-propyl-N-pyrrolidin-3-ylpyridazin-3-amine
CID 63304490
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid
CID 136958564
4-bromo-N-propyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine
CID 79400155
5-amino-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136989336

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136978098) is 2-cyclopropyl-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is CCCN(c1cc(=O)[nH]c(C2CC2)n1)C1CCNC1.
What is the InChIKey of 2-cyclopropyl-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is RDRSBTYJCIEPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-7-18(11-5-6-15-9-11)12-8-13(19)17-14(16-12)10-3-4-10/h8,10-11,15H,2-7,9H2,1H3,(H,16,17,19).
What are the key properties of 2-cyclopropyl-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 262.36 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136978098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).