(3R,4R)-3-cyclopropyl-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-methylpyrrolidin-3-ol

C13H19FN4O — CID 72853527

IUPAC(3R,4R)-3-cyclopropyl-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-methylpyrrolidin-3-ol
SMILESCNc1nc(N2C[C@@H](C)[C@](O)(C3CC3)C2)ncc1F
InChIInChI=1S/C13H19FN4O/c1-8-6-18(7-13(8,19)9-3-4-9)12-16-5-10(14)11(15-2)17-12/h5,8-9,19H,3-4,6-7H2,1-2H3,(H,15,16,17)/t8-,13+/m1/s1
InChIKeyPZAJHMAJKTUUFX-OQPBUACISA-N
MW266.32 g/mol
LogP1.25
Rot. Bonds3

About (3R,4R)-3-cyclopropyl-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-methylpyrrolidin-3-ol

(3R,4R)-3-cyclopropyl-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-methylpyrrolidin-3-ol (PubChem CID 72853527) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is (3R,4R)-3-cyclopropyl-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-3-cyclopropyl-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-methylpyrrolidin-3-ol
PubChem CID72853527
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name(3R,4R)-3-cyclopropyl-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-methylpyrrolidin-3-ol
SMILESCNc1nc(N2C[C@@H](C)[C@](O)(C3CC3)C2)ncc1F
InChIInChI=1S/C13H19FN4O/c1-8-6-18(7-13(8,19)9-3-4-9)12-16-5-10(14)11(15-2)17-12/h5,8-9,19H,3-4,6-7H2,1-2H3,(H,15,16,17)/t8-,13+/m1/s1
InChIKeyPZAJHMAJKTUUFX-OQPBUACISA-N
XLogP1.25
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-3-cyclopropyl-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-methylpyrrolidin-3-ol 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

(3R*,4R*)-3-cyclopropyl-4-methyl-1-[4-(methylamino)-2-pyrimidinyl]-3-pyrrolidinol
CID 72858871
(3R*,4R*)-3-cyclobutyl-4-methyl-1-[4-(methylamino)-2-pyrimidinyl]-3-pyrrolidinol
CID 72912051
2-[1-(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]propan-2-ol
CID 50957693
4-{[(5-Fluoro-2-pyrimidinyl)amino]methyl}-4-azepanol hydrochloride
CID 56888619
(3R*,4R*)-3-cyclopropyl-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-methylpyrrolidin-3-ol
CID 70716015
1-({[4-(Dimethylamino)-5-fluoropyrimidin-2-yl]amino}methyl)cyclohexanol
CID 72846043
(3R*,4R*)-3-cyclopropyl-1-[5-fluoro-4-(4-morpholinyl)-2-pyrimidinyl]-4-methyl-3-pyrrolidinol
CID 72859671
(3R*,4R*)-1-[5-fluoro-4-(methylamino)-2-pyrimidinyl]-3,4-dimethyl-3-pyrrolidinol
CID 72881822
2-[rel-(3S,4R)-3-cyclopropyl-4-(dimethylamino)-1-pyrrolidinyl]-5-fluoro-N-methyl-4-pyrimidinamine dihydrochloride
CID 72936469
(3R*,4R*)-1-[5-fluoro-4-(1-pyrrolidinyl)-2-pyrimidinyl]-3,4-dimethyl-3-pyrrolidinol
CID 72936823
3-Cyclopropyl-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-methylpyrrolidin-3-ol
CID 77900170
3-[[(2-Chloro-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 79075697

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-cyclopropyl-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-methylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-3-cyclopropyl-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-methylpyrrolidin-3-ol (CID 72853527) is (3R,4R)-3-cyclopropyl-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-methylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-3-cyclopropyl-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-methylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-3-cyclopropyl-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-methylpyrrolidin-3-ol is CNc1nc(N2C[C@@H](C)[C@](O)(C3CC3)C2)ncc1F.
What is the InChIKey of (3R,4R)-3-cyclopropyl-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-methylpyrrolidin-3-ol?
The InChIKey is PZAJHMAJKTUUFX-OQPBUACISA-N. The full InChI is InChI=1S/C13H19FN4O/c1-8-6-18(7-13(8,19)9-3-4-9)12-16-5-10(14)11(15-2)17-12/h5,8-9,19H,3-4,6-7H2,1-2H3,(H,15,16,17)/t8-,13+/m1/s1.
What are the key properties of (3R,4R)-3-cyclopropyl-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-methylpyrrolidin-3-ol?
(3R,4R)-3-cyclopropyl-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-methylpyrrolidin-3-ol has a molecular weight of 266.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-cyclopropyl-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 72853527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).