6-(3-aminocyclobutyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine

C15H22N6O — CID 91786557

IUPAC6-(3-aminocyclobutyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(NCCc2cnc[nH]2)cc(C2CC(N)C2)n1
InChIInChI=1S/C15H22N6O/c1-22-8-15-20-13(10-4-11(16)5-10)6-14(21-15)18-3-2-12-7-17-9-19-12/h6-7,9-11H,2-5,8,16H2,1H3,(H,17,19)(H,18,20,21)
InChIKeyZSNFJCPMBMCLAS-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.21
Rot. Bonds7

About 6-(3-aminocyclobutyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine

6-(3-aminocyclobutyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine (PubChem CID 91786557) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
PubChem CID91786557
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name6-(3-aminocyclobutyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(NCCc2cnc[nH]2)cc(C2CC(N)C2)n1
InChIInChI=1S/C15H22N6O/c1-22-8-15-20-13(10-4-11(16)5-10)6-14(21-15)18-3-2-12-7-17-9-19-12/h6-7,9-11H,2-5,8,16H2,1H3,(H,17,19)(H,18,20,21)
InChIKeyZSNFJCPMBMCLAS-UHFFFAOYSA-N
XLogP1.21
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]amino]ethyl]-2-methyl-1H-pyrimidin-6-one;dihydrochloride
CID 154902596
6-(3-aminocyclobutyl)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 91760895
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-4-amine;dihydrochloride
CID 154902022
6-(3-aminocyclobutyl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine;dihydrochloride
CID 154902571
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-(2-chloro-6-methylphenoxy)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 91768240
6-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrimidin-4-amine
CID 56711259
6-(3-aminocyclobutyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylpyrimidin-4-amine
CID 91763873
N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326106
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-4-amine;dihydrochloride
CID 154902085
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-propan-2-ylbenzimidazol-2-yl)methyl]pyrimidin-4-amine;dihydrochloride
CID 154902600

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine (CID 91786557) is 6-(3-aminocyclobutyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine is COCc1nc(NCCc2cnc[nH]2)cc(C2CC(N)C2)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is ZSNFJCPMBMCLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-22-8-15-20-13(10-4-11(16)5-10)6-14(21-15)18-3-2-12-7-17-9-19-12/h6-7,9-11H,2-5,8,16H2,1H3,(H,17,19)(H,18,20,21).
What are the key properties of 6-(3-aminocyclobutyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine?
6-(3-aminocyclobutyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 302.38 g/mol, XLogP of 1.21, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 91786557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).