6-(3-aminocyclobutyl)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine

C15H21ClN6O — CID 91760895

IUPAC6-(3-aminocyclobutyl)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(NCCn2cc(Cl)cn2)cc(C2CC(N)C2)n1
InChIInChI=1S/C15H21ClN6O/c1-23-9-15-20-13(10-4-12(17)5-10)6-14(21-15)18-2-3-22-8-11(16)7-19-22/h6-8,10,12H,2-5,9,17H2,1H3,(H,18,20,21)
InChIKeyTYFCNIZIPGSXAS-UHFFFAOYSA-N
MW336.83 g/mol
LogP1.79
Rot. Bonds7

About 6-(3-aminocyclobutyl)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine

6-(3-aminocyclobutyl)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine (PubChem CID 91760895) has the molecular formula C15H21ClN6O and a molecular weight of 336.83 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
PubChem CID91760895
Molecular FormulaC15H21ClN6O
Molecular Weight336.83 g/mol
Exact Mass336.15
IUPAC Name6-(3-aminocyclobutyl)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(NCCn2cc(Cl)cn2)cc(C2CC(N)C2)n1
InChIInChI=1S/C15H21ClN6O/c1-23-9-15-20-13(10-4-12(17)5-10)6-14(21-15)18-2-3-22-8-11(16)7-19-22/h6-8,10,12H,2-5,9,17H2,1H3,(H,18,20,21)
InChIKeyTYFCNIZIPGSXAS-UHFFFAOYSA-N
XLogP1.79
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine (CID 91760895) is 6-(3-aminocyclobutyl)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine is COCc1nc(NCCn2cc(Cl)cn2)cc(C2CC(N)C2)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is TYFCNIZIPGSXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN6O/c1-23-9-15-20-13(10-4-12(17)5-10)6-14(21-15)18-2-3-22-8-11(16)7-19-22/h6-8,10,12H,2-5,9,17H2,1H3,(H,18,20,21).
What are the key properties of 6-(3-aminocyclobutyl)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine?
6-(3-aminocyclobutyl)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 336.83 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 91760895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).