N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine

C19H23FN6 — CID 172881442

IUPACN-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine
SMILESFc1c(C2CCC2)ncnc1N1CCC(N(c2ccncn2)C2CC2)C1
InChIInChI=1S/C19H23FN6/c20-17-18(13-2-1-3-13)23-12-24-19(17)25-9-7-15(10-25)26(14-4-5-14)16-6-8-21-11-22-16/h6,8,11-15H,1-5,7,9-10H2
InChIKeyBVQMNUWHVPMLPR-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.92
Rot. Bonds5

About N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine

N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine (PubChem CID 172881442) has the molecular formula C19H23FN6 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine
PubChem CID172881442
Molecular FormulaC19H23FN6
Molecular Weight354.43 g/mol
Exact Mass354.20
IUPAC NameN-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine
SMILESFc1c(C2CCC2)ncnc1N1CCC(N(c2ccncn2)C2CC2)C1
InChIInChI=1S/C19H23FN6/c20-17-18(13-2-1-3-13)23-12-24-19(17)25-9-7-15(10-25)26(14-4-5-14)16-6-8-21-11-22-16/h6,8,11-15H,1-5,7,9-10H2
InChIKeyBVQMNUWHVPMLPR-UHFFFAOYSA-N
XLogP2.92
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine?
The IUPAC name of N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine (CID 172881442) is N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine?
The canonical SMILES for N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine is Fc1c(C2CCC2)ncnc1N1CCC(N(c2ccncn2)C2CC2)C1.
What is the InChIKey of N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine?
The InChIKey is BVQMNUWHVPMLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6/c20-17-18(13-2-1-3-13)23-12-24-19(17)25-9-7-15(10-25)26(14-4-5-14)16-6-8-21-11-22-16/h6,8,11-15H,1-5,7,9-10H2.
What are the key properties of N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine?
N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine has a molecular weight of 354.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 172881442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).