(2R)-2-[[6-[2-(1-fluorocyclopropyl)ethyl]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one

C16H23FN4O — CID 178127213

IUPAC(2R)-2-[[6-[2-(1-fluorocyclopropyl)ethyl]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESC[C@@H](Nc1cc(CCC2(F)CC2)ncn1)C(=O)N1CCCC1
InChIInChI=1S/C16H23FN4O/c1-12(15(22)21-8-2-3-9-21)20-14-10-13(18-11-19-14)4-5-16(17)6-7-16/h10-12H,2-9H2,1H3,(H,18,19,20)/t12-/m1/s1
InChIKeyQALNJHHAQSPKBU-GFCCVEGCSA-N
MW306.38 g/mol
LogP2.33
Rot. Bonds6

About (2R)-2-[[6-[2-(1-fluorocyclopropyl)ethyl]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one

(2R)-2-[[6-[2-(1-fluorocyclopropyl)ethyl]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 178127213) has the molecular formula C16H23FN4O and a molecular weight of 306.38 g/mol. Its IUPAC name is (2R)-2-[[6-[2-(1-fluorocyclopropyl)ethyl]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-[[6-[2-(1-fluorocyclopropyl)ethyl]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID178127213
Molecular FormulaC16H23FN4O
Molecular Weight306.38 g/mol
Exact Mass306.19
IUPAC Name(2R)-2-[[6-[2-(1-fluorocyclopropyl)ethyl]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESC[C@@H](Nc1cc(CCC2(F)CC2)ncn1)C(=O)N1CCCC1
InChIInChI=1S/C16H23FN4O/c1-12(15(22)21-8-2-3-9-21)20-14-10-13(18-11-19-14)4-5-16(17)6-7-16/h10-12H,2-9H2,1H3,(H,18,19,20)/t12-/m1/s1
InChIKeyQALNJHHAQSPKBU-GFCCVEGCSA-N
XLogP2.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[6-[2-(1-fluorocyclopropyl)ethyl]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyridine-4-carboxylic acid
CID 115596229
(2R)-1-(azetidin-1-yl)-2-[[6-(5-chloro-2-pyridinyl)pyrimidin-4-yl]amino]propan-1-one;trifluoromethanol
CID 178126635
1-piperidin-1-yl-2-(pyridin-2-ylamino)propan-1-one
CID 112551717
2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 112695203
3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one
CID 104788696
1-pyrrolidin-1-yl-2-(2,4,5-trifluoroanilino)propan-1-one
CID 62815898
2-[[6-(methoxymethyl)pyrimidin-4-yl]amino]propanoic acid
CID 126848603
1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one
CID 110436995
3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one
CID 113453189
2-[(6-methylpyridazin-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113408677
(2R)-1-(azetidin-1-yl)-2-[(6-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-one
CID 178126580
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 115574255

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-[2-(1-fluorocyclopropyl)ethyl]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-[[6-[2-(1-fluorocyclopropyl)ethyl]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one (CID 178127213) is (2R)-2-[[6-[2-(1-fluorocyclopropyl)ethyl]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-[[6-[2-(1-fluorocyclopropyl)ethyl]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-[[6-[2-(1-fluorocyclopropyl)ethyl]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one is C[C@@H](Nc1cc(CCC2(F)CC2)ncn1)C(=O)N1CCCC1.
What is the InChIKey of (2R)-2-[[6-[2-(1-fluorocyclopropyl)ethyl]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is QALNJHHAQSPKBU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23FN4O/c1-12(15(22)21-8-2-3-9-21)20-14-10-13(18-11-19-14)4-5-16(17)6-7-16/h10-12H,2-9H2,1H3,(H,18,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-[[6-[2-(1-fluorocyclopropyl)ethyl]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
(2R)-2-[[6-[2-(1-fluorocyclopropyl)ethyl]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 306.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-[2-(1-fluorocyclopropyl)ethyl]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 178127213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).