2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine

C14H22FN5 — CID 72936469

IUPAC2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine
SMILESCNc1nc(N2C[C@H](C3CC3)[C@@H](N(C)C)C2)ncc1F
InChIInChI=1S/C14H22FN5/c1-16-13-11(15)6-17-14(18-13)20-7-10(9-4-5-9)12(8-20)19(2)3/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,16,17,18)/t10-,12+/m1/s1
InChIKeyZUVFIPLIYDUNLH-PWSUYJOCSA-N
MW279.36 g/mol
LogP1.43
Rot. Bonds4

About 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine

2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine (PubChem CID 72936469) has the molecular formula C14H22FN5 and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine
PubChem CID72936469
Molecular FormulaC14H22FN5
Molecular Weight279.36 g/mol
Exact Mass279.19
IUPAC Name2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine
SMILESCNc1nc(N2C[C@H](C3CC3)[C@@H](N(C)C)C2)ncc1F
InChIInChI=1S/C14H22FN5/c1-16-13-11(15)6-17-14(18-13)20-7-10(9-4-5-9)12(8-20)19(2)3/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,16,17,18)/t10-,12+/m1/s1
InChIKeyZUVFIPLIYDUNLH-PWSUYJOCSA-N
XLogP1.43
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

5-fluoro-N-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-amine
CID 5302486
(3R,4S)-4-cyclopropyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine
CID 72858998
5-{[rel-(3R,4S)-3-amino-4-cyclopropyl-1-pyrrolidinyl]methyl}-N-ethyl-2-pyrimidinamine dihydrochloride
CID 72860282
N'-[(3S*,4R*)-1-(5-fluoro-2-pyrimidinyl)-4-isopropyl-3-pyrrolidinyl]-N,N-dimethylsulfamide
CID 72879774
5-{[rel-(3R,4S)-3-amino-4-cyclopropyl-1-pyrrolidinyl]methyl}-2-pyrimidinamine dihydrochloride
CID 72907839
3-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea
CID 72908687
rel-(3R,4S)-4-cyclopropyl-1-{[2-(1-pyrrolidinyl)-5-pyrimidinyl]methyl}-3-pyrrolidinamine dihydrochloride
CID 72930314
1-[(2S,3aR,7aS)-5-(5-fluoropyrimidin-2-yl)-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine
CID 98777341
rel-(3R,4S)-4-cyclopropyl-N,N-dimethyl-1-(2-pyrimidinylmethyl)-3-pyrrolidinamine dihydrochloride
CID 72873718
2-[rel-(3R,4S)-3-amino-4-isopropyl-1-pyrrolidinyl]-4-pyrimidinamine dihydrochloride
CID 72905675
2-[rel-(3S,4R)-3-cyclopropyl-4-(dimethylamino)-1-pyrrolidinyl]-N-ethyl-4-pyrimidinamine dihydrochloride
CID 72912216
2-[(3R*,4S*)-3-amino-4-cyclopropyl-1-pyrrolidinyl]-N,N,5-trimethyl-4-pyrimidinamine
CID 72913368

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine (CID 72936469) is 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine is CNc1nc(N2C[C@H](C3CC3)[C@@H](N(C)C)C2)ncc1F.
What is the InChIKey of 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine?
The InChIKey is ZUVFIPLIYDUNLH-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H22FN5/c1-16-13-11(15)6-17-14(18-13)20-7-10(9-4-5-9)12(8-20)19(2)3/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,16,17,18)/t10-,12+/m1/s1.
What are the key properties of 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine?
2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine has a molecular weight of 279.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine is sourced from PubChem (CID 72936469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).