5-fluoro-N,N-dimethyl-4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine

C11H17FN4 — CID 134372143

IUPAC5-fluoro-N,N-dimethyl-4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine
SMILESCC1CCN(c2nc(N(C)C)ncc2F)C1
InChIInChI=1S/C11H17FN4/c1-8-4-5-16(7-8)10-9(12)6-13-11(14-10)15(2)3/h6,8H,4-5,7H2,1-3H3
InChIKeyCMSBLFQXEWMZDB-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.53
Rot. Bonds2

About 5-fluoro-N,N-dimethyl-4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine

5-fluoro-N,N-dimethyl-4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine (PubChem CID 134372143) has the molecular formula C11H17FN4 and a molecular weight of 224.28 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine
PubChem CID134372143
Molecular FormulaC11H17FN4
Molecular Weight224.28 g/mol
Exact Mass224.14
IUPAC Name5-fluoro-N,N-dimethyl-4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine
SMILESCC1CCN(c2nc(N(C)C)ncc2F)C1
InChIInChI=1S/C11H17FN4/c1-8-4-5-16(7-8)10-9(12)6-13-11(14-10)15(2)3/h6,8H,4-5,7H2,1-3H3
InChIKeyCMSBLFQXEWMZDB-UHFFFAOYSA-N
XLogP1.53
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethyl-4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N,N-dimethyl-4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine (CID 134372143) is 5-fluoro-N,N-dimethyl-4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N,N-dimethyl-4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine is CC1CCN(c2nc(N(C)C)ncc2F)C1.
What is the InChIKey of 5-fluoro-N,N-dimethyl-4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine?
The InChIKey is CMSBLFQXEWMZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4/c1-8-4-5-16(7-8)10-9(12)6-13-11(14-10)15(2)3/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 5-fluoro-N,N-dimethyl-4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine?
5-fluoro-N,N-dimethyl-4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine has a molecular weight of 224.28 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethyl-4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 134372143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).