6-(3-aminocyclobutyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylpyrimidin-4-amine

C15H22N6O — CID 91763873

IUPAC6-(3-aminocyclobutyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylpyrimidin-4-amine
SMILESCOCc1cc(CNc2cc(C3CC(N)C3)nc(C)n2)[nH]n1
InChIInChI=1S/C15H22N6O/c1-9-18-14(10-3-11(16)4-10)6-15(19-9)17-7-12-5-13(8-22-2)21-20-12/h5-6,10-11H,3-4,7-8,16H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyGWICCOZPGQAQSQ-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.47
Rot. Bonds6

About 6-(3-aminocyclobutyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylpyrimidin-4-amine

6-(3-aminocyclobutyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylpyrimidin-4-amine (PubChem CID 91763873) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylpyrimidin-4-amine
PubChem CID91763873
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name6-(3-aminocyclobutyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylpyrimidin-4-amine
SMILESCOCc1cc(CNc2cc(C3CC(N)C3)nc(C)n2)[nH]n1
InChIInChI=1S/C15H22N6O/c1-9-18-14(10-3-11(16)4-10)6-15(19-9)17-7-12-5-13(8-22-2)21-20-12/h5-6,10-11H,3-4,7-8,16H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyGWICCOZPGQAQSQ-UHFFFAOYSA-N
XLogP1.47
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-aminocyclobutyl)-4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902697
3-[2-amino-6-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91791109
4-[[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one
CID 136662070
6-(3-aminocyclobutyl)-4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 91798368
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-4-amine;dihydrochloride
CID 154902022
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119068755
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126442663
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidin-4-amine;dihydrochloride
CID 154902019
6-(3-aminocyclobutyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 91786557
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrimidin-4-amine;dihydrochloride
CID 154902600
6-(3-aminocyclobutyl)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 91789252
3,5-bis(methoxymethyl)-1H-pyrazole
CID 68529485

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylpyrimidin-4-amine (CID 91763873) is 6-(3-aminocyclobutyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylpyrimidin-4-amine is COCc1cc(CNc2cc(C3CC(N)C3)nc(C)n2)[nH]n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylpyrimidin-4-amine?
The InChIKey is GWICCOZPGQAQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-9-18-14(10-3-11(16)4-10)6-15(19-9)17-7-12-5-13(8-22-2)21-20-12/h5-6,10-11H,3-4,7-8,16H2,1-2H3,(H,20,21)(H,17,18,19).
What are the key properties of 6-(3-aminocyclobutyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylpyrimidin-4-amine?
6-(3-aminocyclobutyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylpyrimidin-4-amine has a molecular weight of 302.38 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 91763873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).