4-chloro-6-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]pyrimidin-2-amine

C15H16ClFN4 — CID 133341659

IUPAC4-chloro-6-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]pyrimidin-2-amine
SMILESCC1CCN(c2cc(Cl)nc(N)n2)C1c1cccc(F)c1
InChIInChI=1S/C15H16ClFN4/c1-9-5-6-21(13-8-12(16)19-15(18)20-13)14(9)10-3-2-4-11(17)7-10/h2-4,7-9,14H,5-6H2,1H3,(H2,18,19,20)
InChIKeyIHPAVCHORJBLRQ-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.44
Rot. Bonds2

About 4-chloro-6-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]pyrimidin-2-amine

4-chloro-6-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 133341659) has the molecular formula C15H16ClFN4 and a molecular weight of 306.77 g/mol. Its IUPAC name is 4-chloro-6-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID133341659
Molecular FormulaC15H16ClFN4
Molecular Weight306.77 g/mol
Exact Mass306.10
IUPAC Name4-chloro-6-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]pyrimidin-2-amine
SMILESCC1CCN(c2cc(Cl)nc(N)n2)C1c1cccc(F)c1
InChIInChI=1S/C15H16ClFN4/c1-9-5-6-21(13-8-12(16)19-15(18)20-13)14(9)10-3-2-4-11(17)7-10/h2-4,7-9,14H,5-6H2,1H3,(H2,18,19,20)
InChIKeyIHPAVCHORJBLRQ-UHFFFAOYSA-N
XLogP3.44
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]pyrimidin-2-amine (CID 133341659) is 4-chloro-6-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]pyrimidin-2-amine is CC1CCN(c2cc(Cl)nc(N)n2)C1c1cccc(F)c1.
What is the InChIKey of 4-chloro-6-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is IHPAVCHORJBLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4/c1-9-5-6-21(13-8-12(16)19-15(18)20-13)14(9)10-3-2-4-11(17)7-10/h2-4,7-9,14H,5-6H2,1H3,(H2,18,19,20).
What are the key properties of 4-chloro-6-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]pyrimidin-2-amine?
4-chloro-6-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 306.77 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 133341659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).