6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine

C17H25N5OS — CID 91793326

IUPAC6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine
SMILESCOCc1nc(NCCCc2scnc2C)cc(C2CC(N)C2)n1
InChIInChI=1S/C17H25N5OS/c1-11-15(24-10-20-11)4-3-5-19-16-8-14(12-6-13(18)7-12)21-17(22-16)9-23-2/h8,10,12-13H,3-7,9,18H2,1-2H3,(H,19,21,22)
InChIKeyGFNANDNQFHAYBX-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.64
Rot. Bonds8

About 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine

6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine (PubChem CID 91793326) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine
PubChem CID91793326
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine
SMILESCOCc1nc(NCCCc2scnc2C)cc(C2CC(N)C2)n1
InChIInChI=1S/C17H25N5OS/c1-11-15(24-10-20-11)4-3-5-19-16-8-14(12-6-13(18)7-12)21-17(22-16)9-23-2/h8,10,12-13H,3-7,9,18H2,1-2H3,(H,19,21,22)
InChIKeyGFNANDNQFHAYBX-UHFFFAOYSA-N
XLogP2.64
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 91790618
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-(1H-imidazol-5-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 91786557
6-(3-aminocyclobutyl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine;dihydrochloride
CID 154902571
6-(3-aminocyclobutyl)-N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 91768240
6-(3-aminocyclobutyl)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 91760895
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 91761753
3-[2-[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one;dihydrochloride
CID 154902261
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine
CID 91791117
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-4-amine;dihydrochloride
CID 154902085
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-4-amine;dihydrochloride
CID 154902022
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidin-4-amine;dihydrochloride
CID 154902019

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine (CID 91793326) is 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine is COCc1nc(NCCCc2scnc2C)cc(C2CC(N)C2)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine?
The InChIKey is GFNANDNQFHAYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-11-15(24-10-20-11)4-3-5-19-16-8-14(12-6-13(18)7-12)21-17(22-16)9-23-2/h8,10,12-13H,3-7,9,18H2,1-2H3,(H,19,21,22).
What are the key properties of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine?
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine has a molecular weight of 347.49 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 91793326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).