5-[(2-methylpropylamino)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

C13H22N4O — CID 114206369

IUPAC5-[(2-methylpropylamino)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCC(C)CNCc1cnc(N2CCCC2)[nH]c1=O
InChIInChI=1S/C13H22N4O/c1-10(2)7-14-8-11-9-15-13(16-12(11)18)17-5-3-4-6-17/h9-10,14H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyNHNWHOFIKVQYSE-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.12
Rot. Bonds5

About 5-[(2-methylpropylamino)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

5-[(2-methylpropylamino)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 114206369) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-[(2-methylpropylamino)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(2-methylpropylamino)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID114206369
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-[(2-methylpropylamino)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCC(C)CNCc1cnc(N2CCCC2)[nH]c1=O
InChIInChI=1S/C13H22N4O/c1-10(2)7-14-8-11-9-15-13(16-12(11)18)17-5-3-4-6-17/h9-10,14H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyNHNWHOFIKVQYSE-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropylamino)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(2-methylpropylamino)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 114206369) is 5-[(2-methylpropylamino)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(2-methylpropylamino)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(2-methylpropylamino)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is CC(C)CNCc1cnc(N2CCCC2)[nH]c1=O.
What is the InChIKey of 5-[(2-methylpropylamino)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is NHNWHOFIKVQYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)7-14-8-11-9-15-13(16-12(11)18)17-5-3-4-6-17/h9-10,14H,3-8H2,1-2H3,(H,15,16,18).
What are the key properties of 5-[(2-methylpropylamino)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
5-[(2-methylpropylamino)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 250.35 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropylamino)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 114206369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).