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

C13H22N4O — CID 136781023

IUPAC4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)CN(CC1CCCN1)c1cc(=O)[nH]cn1
InChIInChI=1S/C13H22N4O/c1-10(2)7-17(8-11-4-3-5-14-11)12-6-13(18)16-9-15-12/h6,9-11,14H,3-5,7-8H2,1-2H3,(H,15,16,18)
InChIKeyDGNOVNFUOFQCRK-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.98
Rot. Bonds5

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

4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136781023) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136781023
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)CN(CC1CCCN1)c1cc(=O)[nH]cn1
InChIInChI=1S/C13H22N4O/c1-10(2)7-17(8-11-4-3-5-14-11)12-6-13(18)16-9-15-12/h6,9-11,14H,3-5,7-8H2,1-2H3,(H,15,16,18)
InChIKeyDGNOVNFUOFQCRK-UHFFFAOYSA-N
XLogP0.98
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Methyl-6-oxopyrimidin-4-yl)-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]urea
CID 138025529
4-(3,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136454963
6-(3,6-Diazabicyclo[3.2.1]octan-6-yl)-3-methylpyrimidin-4-one
CID 139427171
6-(Cyclopentylamino)-3-methyl-3,4-dihydropyrimidin-4-one
CID 134160401
4-[(2-methylpropylamino)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136095865
6-(3-Aminopyrrolidin-1-yl)-3,4-dihydropyrimidin-4-one hydrochloride
CID 136562356
6-(3-Aminopyrrolidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136562357
2-amino-4-(2-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136572862
4-[(2-amino-1-cyclopentylethyl)amino]-1H-pyrimidin-6-one
CID 136672022
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136781023) is 4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is CC(C)CN(CC1CCCN1)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is DGNOVNFUOFQCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)7-17(8-11-4-3-5-14-11)12-6-13(18)16-9-15-12/h6,9-11,14H,3-5,7-8H2,1-2H3,(H,15,16,18).
What are the key properties of 4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 250.35 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136781023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).