2-chloro-5-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine

C10H14ClFN4 — CID 79081250

IUPAC2-chloro-5-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
SMILESCN1CCC(CNc2nc(Cl)ncc2F)C1
InChIInChI=1S/C10H14ClFN4/c1-16-3-2-7(6-16)4-13-9-8(12)5-14-10(11)15-9/h5,7H,2-4,6H2,1H3,(H,13,14,15)
InChIKeyIAXVHKJRUNIYSA-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.63
Rot. Bonds3

About 2-chloro-5-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine

2-chloro-5-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine (PubChem CID 79081250) has the molecular formula C10H14ClFN4 and a molecular weight of 244.70 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
PubChem CID79081250
Molecular FormulaC10H14ClFN4
Molecular Weight244.70 g/mol
Exact Mass244.09
IUPAC Name2-chloro-5-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
SMILESCN1CCC(CNc2nc(Cl)ncc2F)C1
InChIInChI=1S/C10H14ClFN4/c1-16-3-2-7(6-16)4-13-9-8(12)5-14-10(11)15-9/h5,7H,2-4,6H2,1H3,(H,13,14,15)
InChIKeyIAXVHKJRUNIYSA-UHFFFAOYSA-N
XLogP1.63
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine (CID 79081250) is 2-chloro-5-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine is CN1CCC(CNc2nc(Cl)ncc2F)C1.
What is the InChIKey of 2-chloro-5-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is IAXVHKJRUNIYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN4/c1-16-3-2-7(6-16)4-13-9-8(12)5-14-10(11)15-9/h5,7H,2-4,6H2,1H3,(H,13,14,15).
What are the key properties of 2-chloro-5-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
2-chloro-5-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 244.70 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 79081250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).