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

C12H18N4O — CID 136672455

IUPAC4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1cc(N(CC2CCCN2)C2CC2)nc[nH]1
InChIInChI=1S/C12H18N4O/c17-12-6-11(14-8-15-12)16(10-3-4-10)7-9-2-1-5-13-9/h6,8-10,13H,1-5,7H2,(H,14,15,17)
InChIKeyVYYSKNBOHNBDCS-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.49
Rot. Bonds4

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

4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136672455) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136672455
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1cc(N(CC2CCCN2)C2CC2)nc[nH]1
InChIInChI=1S/C12H18N4O/c17-12-6-11(14-8-15-12)16(10-3-4-10)7-9-2-1-5-13-9/h6,8-10,13H,1-5,7H2,(H,14,15,17)
InChIKeyVYYSKNBOHNBDCS-UHFFFAOYSA-N
XLogP0.49
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.49
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-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136957359
4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 136978103
3-[(Pyrrolidin-2-yl)methyl]-3,4-dihydropyrimidin-4-one
CID 63769367
3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
CID 96672342
3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
CID 96672343
1-cyclopentyl-3-(2-(6-oxopyrimidin-1(6H)-yl)ethyl)urea
CID 121121672
4-[(cyclopropylamino)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136095766
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

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136672455) is 4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is O=c1cc(N(CC2CCCN2)C2CC2)nc[nH]1.
What is the InChIKey of 4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is VYYSKNBOHNBDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c17-12-6-11(14-8-15-12)16(10-3-4-10)7-9-2-1-5-13-9/h6,8-10,13H,1-5,7H2,(H,14,15,17).
What are the key properties of 4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 234.30 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136672455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).