6-(3-aminocyclobutyl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine;dihydrochloride

C19H32Cl2N6O — CID 154902571

IUPAC6-(3-aminocyclobutyl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine;dihydrochloride
SMILESCCc1c(C)nn(CCNc2cc(C3CC(N)C3)nc(COC)n2)c1C.Cl.Cl
InChIInChI=1S/C19H30N6O.2ClH/c1-5-16-12(2)24-25(13(16)3)7-6-21-18-10-17(14-8-15(20)9-14)22-19(23-18)11-26-4;;/h10,14-15H,5-9,11,20H2,1-4H3,(H,21,22,23);2*1H
InChIKeyOSUBXFUYTOPFOJ-UHFFFAOYSA-N
MW431.41 g/mol
LogP3.16
Rot. Bonds8

About 6-(3-aminocyclobutyl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine;dihydrochloride

6-(3-aminocyclobutyl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine;dihydrochloride (PubChem CID 154902571) has the molecular formula C19H32Cl2N6O and a molecular weight of 431.41 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine;dihydrochloride
PubChem CID154902571
Molecular FormulaC19H32Cl2N6O
Molecular Weight431.41 g/mol
Exact Mass430.20
IUPAC Name6-(3-aminocyclobutyl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine;dihydrochloride
SMILESCCc1c(C)nn(CCNc2cc(C3CC(N)C3)nc(COC)n2)c1C.Cl.Cl
InChIInChI=1S/C19H30N6O.2ClH/c1-5-16-12(2)24-25(13(16)3)7-6-21-18-10-17(14-8-15(20)9-14)22-19(23-18)11-26-4;;/h10,14-15H,5-9,11,20H2,1-4H3,(H,21,22,23);2*1H
InChIKeyOSUBXFUYTOPFOJ-UHFFFAOYSA-N
XLogP3.16
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one;dihydrochloride
CID 154902261
6-(3-aminocyclobutyl)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 91760895
4-[2-[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]amino]ethyl]-2-methyl-1H-pyrimidin-6-one;dihydrochloride
CID 154902596
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pyrimidin-4-amine
CID 91790373
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine
CID 91793326
N-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 91790618
6-(3-aminocyclobutyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 91786557
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-4-amine;dihydrochloride
CID 154902085
6-(3-aminocyclobutyl)-N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 91768240
6-(3-aminocyclobutyl)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-(methoxymethyl)pyrimidin-4-amine;dihydrochloride
CID 154901836
6-(3-aminocyclobutyl)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 91789252
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-4-amine;dihydrochloride
CID 154902022

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine;dihydrochloride?
The IUPAC name of 6-(3-aminocyclobutyl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine;dihydrochloride (CID 154902571) is 6-(3-aminocyclobutyl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine;dihydrochloride is CCc1c(C)nn(CCNc2cc(C3CC(N)C3)nc(COC)n2)c1C.Cl.Cl.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine;dihydrochloride?
The InChIKey is OSUBXFUYTOPFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O.2ClH/c1-5-16-12(2)24-25(13(16)3)7-6-21-18-10-17(14-8-15(20)9-14)22-19(23-18)11-26-4;;/h10,14-15H,5-9,11,20H2,1-4H3,(H,21,22,23);2*1H.
What are the key properties of 6-(3-aminocyclobutyl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine;dihydrochloride?
6-(3-aminocyclobutyl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine;dihydrochloride has a molecular weight of 431.41 g/mol, XLogP of 3.16, 8 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-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 154902571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).