N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-5-propylpyrimidin-4-amine

C19H26N6O — CID 91786900

IUPACN-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-5-propylpyrimidin-4-amine
SMILESCCCc1cncnc1NC1CC(c2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C19H26N6O/c1-2-3-14-11-20-12-23-19(14)24-16-8-15(9-16)17-10-18(22-13-21-17)25-4-6-26-7-5-25/h10-13,15-16H,2-9H2,1H3,(H,20,23,24)
InChIKeyGHTQZEVIWSVJKI-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.41
Rot. Bonds6

About N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-5-propylpyrimidin-4-amine

N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-5-propylpyrimidin-4-amine (PubChem CID 91786900) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-5-propylpyrimidin-4-amine
PubChem CID91786900
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-5-propylpyrimidin-4-amine
SMILESCCCc1cncnc1NC1CC(c2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C19H26N6O/c1-2-3-14-11-20-12-23-19(14)24-16-8-15(9-16)17-10-18(22-13-21-17)25-4-6-26-7-5-25/h10-13,15-16H,2-9H2,1H3,(H,20,23,24)
InChIKeyGHTQZEVIWSVJKI-UHFFFAOYSA-N
XLogP2.41
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-5-propylpyrimidin-4-amine?
The IUPAC name of N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-5-propylpyrimidin-4-amine (CID 91786900) is N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-5-propylpyrimidin-4-amine?
The canonical SMILES for N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-5-propylpyrimidin-4-amine is CCCc1cncnc1NC1CC(c2cc(N3CCOCC3)ncn2)C1.
What is the InChIKey of N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-5-propylpyrimidin-4-amine?
The InChIKey is GHTQZEVIWSVJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-2-3-14-11-20-12-23-19(14)24-16-8-15(9-16)17-10-18(22-13-21-17)25-4-6-26-7-5-25/h10-13,15-16H,2-9H2,1H3,(H,20,23,24).
What are the key properties of N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-5-propylpyrimidin-4-amine?
N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-5-propylpyrimidin-4-amine has a molecular weight of 354.46 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 91786900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).