(3R,4R)-3-cyclopropyl-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-methylpyrrolidin-3-ol

C14H21FN4O — CID 70716015

IUPAC(3R,4R)-3-cyclopropyl-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-methylpyrrolidin-3-ol
SMILESC[C@@H]1CN(c2ncc(F)c(N(C)C)n2)C[C@@]1(O)C1CC1
InChIInChI=1S/C14H21FN4O/c1-9-7-19(8-14(9,20)10-4-5-10)13-16-6-11(15)12(17-13)18(2)3/h6,9-10,20H,4-5,7-8H2,1-3H3/t9-,14+/m1/s1
InChIKeyBDGXZCDUXZGHGK-OTYXRUKQSA-N
MW280.35 g/mol
LogP1.28
Rot. Bonds3

About (3R,4R)-3-cyclopropyl-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-methylpyrrolidin-3-ol

(3R,4R)-3-cyclopropyl-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-methylpyrrolidin-3-ol (PubChem CID 70716015) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is (3R,4R)-3-cyclopropyl-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-3-cyclopropyl-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-methylpyrrolidin-3-ol
PubChem CID70716015
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name(3R,4R)-3-cyclopropyl-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-methylpyrrolidin-3-ol
SMILESC[C@@H]1CN(c2ncc(F)c(N(C)C)n2)C[C@@]1(O)C1CC1
InChIInChI=1S/C14H21FN4O/c1-9-7-19(8-14(9,20)10-4-5-10)13-16-6-11(15)12(17-13)18(2)3/h6,9-10,20H,4-5,7-8H2,1-3H3/t9-,14+/m1/s1
InChIKeyBDGXZCDUXZGHGK-OTYXRUKQSA-N
XLogP1.28
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-3-cyclopropyl-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-methylpyrrolidin-3-ol with MolForge

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Related Compounds

(3R*,4R*)-3-cyclopropyl-4-methyl-1-[4-(methylamino)-2-pyrimidinyl]-3-pyrrolidinol
CID 72858871
2-[1-(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]propan-2-ol
CID 50957693
1-{2-[(5-Fluoropyrimidin-2-yl)(methyl)amino]ethyl}cyclopentanol
CID 131902405
4-(3-cyclobutylpyrrolidin-1-yl)-5-fluoro-N,N-dimethylpyrimidin-2-amine
CID 134372174
1-({[4-(Dimethylamino)-5-fluoropyrimidin-2-yl]amino}methyl)cyclohexanol
CID 72846043
(3R*,4R*)-1-[5-fluoro-4-(4-morpholinyl)-2-pyrimidinyl]-3,4-dimethyl-3-pyrrolidinol
CID 72851467
(3R*,4R*)-3-cyclopropyl-1-[5-fluoro-4-(methylamino)-2-pyrimidinyl]-4-methyl-3-pyrrolidinol
CID 72853527
(3R*,4R*)-3-cyclopropyl-1-[5-fluoro-4-(4-morpholinyl)-2-pyrimidinyl]-4-methyl-3-pyrrolidinol
CID 72859671
(3R*,4R*)-3-cyclopropyl-1-(5-fluoro-4-methoxy-2-pyrimidinyl)-4-methyl-3-pyrrolidinol
CID 72872622
(3R*,4R*)-1-[5-fluoro-4-(methylamino)-2-pyrimidinyl]-3,4-dimethyl-3-pyrrolidinol
CID 72881822
1-[4-(Dimethylamino)-5-fluoropyrimidin-2-YL]-3-(hydroxymethyl)pyrrolidin-3-OL
CID 72920425
(3R*,4R*)-1-[5-fluoro-4-(1-pyrrolidinyl)-2-pyrimidinyl]-3,4-dimethyl-3-pyrrolidinol
CID 72936823

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-cyclopropyl-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-methylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-3-cyclopropyl-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-methylpyrrolidin-3-ol (CID 70716015) is (3R,4R)-3-cyclopropyl-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-methylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-3-cyclopropyl-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-methylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-3-cyclopropyl-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-methylpyrrolidin-3-ol is C[C@@H]1CN(c2ncc(F)c(N(C)C)n2)C[C@@]1(O)C1CC1.
What is the InChIKey of (3R,4R)-3-cyclopropyl-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-methylpyrrolidin-3-ol?
The InChIKey is BDGXZCDUXZGHGK-OTYXRUKQSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-9-7-19(8-14(9,20)10-4-5-10)13-16-6-11(15)12(17-13)18(2)3/h6,9-10,20H,4-5,7-8H2,1-3H3/t9-,14+/m1/s1.
What are the key properties of (3R,4R)-3-cyclopropyl-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-methylpyrrolidin-3-ol?
(3R,4R)-3-cyclopropyl-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-methylpyrrolidin-3-ol has a molecular weight of 280.35 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-cyclopropyl-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 70716015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).