4-chloro-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine

C14H15ClN4 — CID 78984004

IUPAC4-chloro-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCC(c3ccccc3)C2)n1
InChIInChI=1S/C14H15ClN4/c15-12-8-13(18-14(16)17-12)19-7-6-11(9-19)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H2,16,17,18)
InChIKeyIHYRXUZFRTWHAV-UHFFFAOYSA-N
MW274.76 g/mol
LogP2.71
Rot. Bonds2

About 4-chloro-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine

4-chloro-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine (PubChem CID 78984004) has the molecular formula C14H15ClN4 and a molecular weight of 274.76 g/mol. Its IUPAC name is 4-chloro-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine
PubChem CID78984004
Molecular FormulaC14H15ClN4
Molecular Weight274.76 g/mol
Exact Mass274.10
IUPAC Name4-chloro-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCC(c3ccccc3)C2)n1
InChIInChI=1S/C14H15ClN4/c15-12-8-13(18-14(16)17-12)19-7-6-11(9-19)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H2,16,17,18)
InChIKeyIHYRXUZFRTWHAV-UHFFFAOYSA-N
XLogP2.71
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.76
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine (CID 78984004) is 4-chloro-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine is Nc1nc(Cl)cc(N2CCC(c3ccccc3)C2)n1.
What is the InChIKey of 4-chloro-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine?
The InChIKey is IHYRXUZFRTWHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4/c15-12-8-13(18-14(16)17-12)19-7-6-11(9-19)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H2,16,17,18).
What are the key properties of 4-chloro-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine?
4-chloro-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine has a molecular weight of 274.76 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 78984004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).