6-(3-aminocyclobutyl)-N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-(methoxymethyl)pyrimidin-4-amine

C19H25ClN4O2 — CID 91768240

IUPAC6-(3-aminocyclobutyl)-N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(NCCOc2c(C)cccc2Cl)cc(C2CC(N)C2)n1
InChIInChI=1S/C19H25ClN4O2/c1-12-4-3-5-15(20)19(12)26-7-6-22-17-10-16(13-8-14(21)9-13)23-18(24-17)11-25-2/h3-5,10,13-14H,6-9,11,21H2,1-2H3,(H,22,23,24)
InChIKeyMRHNIIGJGBHLRP-UHFFFAOYSA-N
MW376.89 g/mol
LogP3.28
Rot. Bonds8

About 6-(3-aminocyclobutyl)-N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-(methoxymethyl)pyrimidin-4-amine

6-(3-aminocyclobutyl)-N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-(methoxymethyl)pyrimidin-4-amine (PubChem CID 91768240) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
PubChem CID91768240
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name6-(3-aminocyclobutyl)-N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(NCCOc2c(C)cccc2Cl)cc(C2CC(N)C2)n1
InChIInChI=1S/C19H25ClN4O2/c1-12-4-3-5-15(20)19(12)26-7-6-22-17-10-16(13-8-14(21)9-13)23-18(24-17)11-25-2/h3-5,10,13-14H,6-9,11,21H2,1-2H3,(H,22,23,24)
InChIKeyMRHNIIGJGBHLRP-UHFFFAOYSA-N
XLogP3.28
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
6-(3-aminocyclobutyl)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-(methoxymethyl)pyrimidin-4-amine;dihydrochloride
CID 154901836
6-(3-aminocyclobutyl)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 91760895
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine
CID 91793326
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
3-[2-[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one;dihydrochloride
CID 154902261
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
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrimidin-4-amine;dihydrochloride
CID 154902600
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-4-amine;dihydrochloride
CID 154902085

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-(methoxymethyl)pyrimidin-4-amine (CID 91768240) is 6-(3-aminocyclobutyl)-N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-(methoxymethyl)pyrimidin-4-amine is COCc1nc(NCCOc2c(C)cccc2Cl)cc(C2CC(N)C2)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is MRHNIIGJGBHLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-12-4-3-5-15(20)19(12)26-7-6-22-17-10-16(13-8-14(21)9-13)23-18(24-17)11-25-2/h3-5,10,13-14H,6-9,11,21H2,1-2H3,(H,22,23,24).
What are the key properties of 6-(3-aminocyclobutyl)-N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-(methoxymethyl)pyrimidin-4-amine?
6-(3-aminocyclobutyl)-N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 376.89 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 91768240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).