4-amino-2-[2-[[1-(4-fluorophenyl)pyrrolidin-3-yl]amino]ethyl]-1H-pyrimidin-6-one

C16H20FN5O — CID 137021898

IUPAC4-amino-2-[2-[[1-(4-fluorophenyl)pyrrolidin-3-yl]amino]ethyl]-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(CCNC2CCN(c3ccc(F)cc3)C2)n1
InChIInChI=1S/C16H20FN5O/c17-11-1-3-13(4-2-11)22-8-6-12(10-22)19-7-5-15-20-14(18)9-16(23)21-15/h1-4,9,12,19H,5-8,10H2,(H3,18,20,21,23)
InChIKeyBHGZGHSWFJVCCE-UHFFFAOYSA-N
MW317.37 g/mol
LogP0.90
Rot. Bonds5

About 4-amino-2-[2-[[1-(4-fluorophenyl)pyrrolidin-3-yl]amino]ethyl]-1H-pyrimidin-6-one

4-amino-2-[2-[[1-(4-fluorophenyl)pyrrolidin-3-yl]amino]ethyl]-1H-pyrimidin-6-one (PubChem CID 137021898) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is 4-amino-2-[2-[[1-(4-fluorophenyl)pyrrolidin-3-yl]amino]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[2-[[1-(4-fluorophenyl)pyrrolidin-3-yl]amino]ethyl]-1H-pyrimidin-6-one
PubChem CID137021898
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name4-amino-2-[2-[[1-(4-fluorophenyl)pyrrolidin-3-yl]amino]ethyl]-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(CCNC2CCN(c3ccc(F)cc3)C2)n1
InChIInChI=1S/C16H20FN5O/c17-11-1-3-13(4-2-11)22-8-6-12(10-22)19-7-5-15-20-14(18)9-16(23)21-15/h1-4,9,12,19H,5-8,10H2,(H3,18,20,21,23)
InChIKeyBHGZGHSWFJVCCE-UHFFFAOYSA-N
XLogP0.90
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-[2-(cycloheptylamino)ethyl]-1H-pyrimidin-6-one
CID 137222496
2-[[1-(4-fluorophenyl)pyrrolidin-3-yl]amino]acetonitrile
CID 117004659
4-amino-2-[2-[[(1R)-1-cyclobutylethyl]amino]ethyl]-1H-pyrimidin-6-one
CID 137225383
2-[2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]amino]ethyl]-3H-quinazolin-4-one
CID 137253178
2-[2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]ethyl]-3H-quinazolin-4-one
CID 137255666
N-propyl-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
CID 63180231
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)pyrrolidin-3-amine
CID 131910268
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336934
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 135876442
[1-(4-fluorophenyl)piperidin-4-yl]urea
CID 68772038
3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004298
1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-amine
CID 62982821

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-[[1-(4-fluorophenyl)pyrrolidin-3-yl]amino]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-[2-[[1-(4-fluorophenyl)pyrrolidin-3-yl]amino]ethyl]-1H-pyrimidin-6-one (CID 137021898) is 4-amino-2-[2-[[1-(4-fluorophenyl)pyrrolidin-3-yl]amino]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[2-[[1-(4-fluorophenyl)pyrrolidin-3-yl]amino]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[2-[[1-(4-fluorophenyl)pyrrolidin-3-yl]amino]ethyl]-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(CCNC2CCN(c3ccc(F)cc3)C2)n1.
What is the InChIKey of 4-amino-2-[2-[[1-(4-fluorophenyl)pyrrolidin-3-yl]amino]ethyl]-1H-pyrimidin-6-one?
The InChIKey is BHGZGHSWFJVCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c17-11-1-3-13(4-2-11)22-8-6-12(10-22)19-7-5-15-20-14(18)9-16(23)21-15/h1-4,9,12,19H,5-8,10H2,(H3,18,20,21,23).
What are the key properties of 4-amino-2-[2-[[1-(4-fluorophenyl)pyrrolidin-3-yl]amino]ethyl]-1H-pyrimidin-6-one?
4-amino-2-[2-[[1-(4-fluorophenyl)pyrrolidin-3-yl]amino]ethyl]-1H-pyrimidin-6-one has a molecular weight of 317.37 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-[[1-(4-fluorophenyl)pyrrolidin-3-yl]amino]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137021898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).