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

C12H20N4O — CID 136780994

IUPAC4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCCCN(CC1CCCN1)c1cc(=O)[nH]cn1
InChIInChI=1S/C12H20N4O/c1-2-6-16(8-10-4-3-5-13-10)11-7-12(17)15-9-14-11/h7,9-10,13H,2-6,8H2,1H3,(H,14,15,17)
InChIKeyLSWLCZKDHKDMPU-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.74
Rot. Bonds5

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

4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136780994) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136780994
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCCCN(CC1CCCN1)c1cc(=O)[nH]cn1
InChIInChI=1S/C12H20N4O/c1-2-6-16(8-10-4-3-5-13-10)11-7-12(17)15-9-14-11/h7,9-10,13H,2-6,8H2,1H3,(H,14,15,17)
InChIKeyLSWLCZKDHKDMPU-UHFFFAOYSA-N
XLogP0.74
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
1-(1-Methyl-6-oxopyrimidin-4-yl)-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]urea
CID 138025529
4-[butan-2-yl(ethyl)amino]-1H-pyrimidin-6-one
CID 136449958
4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136957359
4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 136978103
6-(3,6-Diazabicyclo[3.2.1]octan-6-yl)-3-methylpyrimidin-4-one
CID 139427171
6-Methyl-3-[(pyrrolidin-2-yl)methyl]-3,4-dihydropyrimidin-4-one
CID 61685918
3-[2-(Ethylamino)pentyl]pyrimidin-4-one
CID 63768305
3-[2-(Methylamino)pentyl]pyrimidin-4-one
CID 63768306
3-[(Pyrrolidin-2-yl)methyl]-3,4-dihydropyrimidin-4-one
CID 63769367
3-[2-(Propylamino)pentyl]pyrimidin-4-one
CID 63769697
2-(1-Aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84687778

Frequently Asked Questions

What is the IUPAC name of 4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136780994) is 4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is CCCN(CC1CCCN1)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is LSWLCZKDHKDMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-6-16(8-10-4-3-5-13-10)11-7-12(17)15-9-14-11/h7,9-10,13H,2-6,8H2,1H3,(H,14,15,17).
What are the key properties of 4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136780994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).