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

C13H20N4O — CID 136780966

IUPAC2-cyclopropyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC1CCCN1)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H20N4O/c1-17(8-10-3-2-6-14-10)11-7-12(18)16-13(15-11)9-4-5-9/h7,9-10,14H,2-6,8H2,1H3,(H,15,16,18)
InChIKeyFFIPJNZBNFPTLU-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.84
Rot. Bonds4

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

2-cyclopropyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136780966) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-cyclopropyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136780966
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-cyclopropyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC1CCCN1)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H20N4O/c1-17(8-10-3-2-6-14-10)11-7-12(18)16-13(15-11)9-4-5-9/h7,9-10,14H,2-6,8H2,1H3,(H,15,16,18)
InChIKeyFFIPJNZBNFPTLU-UHFFFAOYSA-N
XLogP0.84
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.84
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
4-(dimethylamino)-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 136314511
4-(dimethylamino)-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 136314512
2-(1-aminoethyl)-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 136314515
4-(dimethylamino)-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 136326816
2-(1-aminoethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136326817
2-(1-aminoethyl)-4-(azepan-1-yl)-1H-pyrimidin-6-one
CID 136345069
2-methyl-4-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136568411
4-[(2-amino-1-cyclopentylethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136672017
4-[(2-amino-1-cyclopentylethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136672018

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136780966) is 2-cyclopropyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is CN(CC1CCCN1)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is FFIPJNZBNFPTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-17(8-10-3-2-6-14-10)11-7-12(18)16-13(15-11)9-4-5-9/h7,9-10,14H,2-6,8H2,1H3,(H,15,16,18).
What are the key properties of 2-cyclopropyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 248.33 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136780966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).