5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine

C12H19FN4 — CID 113419468

IUPAC5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCC(C(C)C)C2)n1
InChIInChI=1S/C12H19FN4/c1-8(2)9-4-5-17(7-9)11-10(13)6-15-12(14-3)16-11/h6,8-9H,4-5,7H2,1-3H3,(H,14,15,16)
InChIKeyVTPUKUBFBBDLAJ-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.14
Rot. Bonds3

About 5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine

5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine (PubChem CID 113419468) has the molecular formula C12H19FN4 and a molecular weight of 238.31 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine
PubChem CID113419468
Molecular FormulaC12H19FN4
Molecular Weight238.31 g/mol
Exact Mass238.16
IUPAC Name5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCC(C(C)C)C2)n1
InChIInChI=1S/C12H19FN4/c1-8(2)9-4-5-17(7-9)11-10(13)6-15-12(14-3)16-11/h6,8-9H,4-5,7H2,1-3H3,(H,14,15,16)
InChIKeyVTPUKUBFBBDLAJ-UHFFFAOYSA-N
XLogP2.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 112629584
5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80766519
4-(4-ethoxypiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 80798443
4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 80834380
4-(3,4-dimethoxypyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 103542049
5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine
CID 104924733
5-fluoro-N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-amine
CID 80823570
1-[5-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 114035444
4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80856428
N,2,5-trimethyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 113419461
1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-ol
CID 80780024
4-(3-cyclopropylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 80857928

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine (CID 113419468) is 5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine is CNc1ncc(F)c(N2CCC(C(C)C)C2)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine?
The InChIKey is VTPUKUBFBBDLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4/c1-8(2)9-4-5-17(7-9)11-10(13)6-15-12(14-3)16-11/h6,8-9H,4-5,7H2,1-3H3,(H,14,15,16).
What are the key properties of 5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine?
5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine has a molecular weight of 238.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 113419468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).