6-(3-aminocyclobutyl)-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine

C13H22N4O — CID 91792506

IUPAC6-(3-aminocyclobutyl)-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
SMILESCOCCCN(C)c1cc(C2CC(N)C2)ncn1
InChIInChI=1S/C13H22N4O/c1-17(4-3-5-18-2)13-8-12(15-9-16-13)10-6-11(14)7-10/h8-11H,3-7,14H2,1-2H3
InChIKeyOTGPLWATAUBFHF-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.15
Rot. Bonds6

About 6-(3-aminocyclobutyl)-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine

6-(3-aminocyclobutyl)-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine (PubChem CID 91792506) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
PubChem CID91792506
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name6-(3-aminocyclobutyl)-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
SMILESCOCCCN(C)c1cc(C2CC(N)C2)ncn1
InChIInChI=1S/C13H22N4O/c1-17(4-3-5-18-2)13-8-12(15-9-16-13)10-6-11(14)7-10/h8-11H,3-7,14H2,1-2H3
InChIKeyOTGPLWATAUBFHF-UHFFFAOYSA-N
XLogP1.15
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(3-aminocyclobutyl)-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4-diamine;dihydrochloride
CID 154902244
6-(3-aminocyclobutyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-4-amine
CID 91771811
6-(3-aminocyclobutyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]pyrimidin-4-amine;dihydrochloride
CID 154901907
6-(3-aminocyclobutyl)-N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-N-methylpyrimidin-4-amine
CID 133268536
2-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]methyl]-2-ethylbutan-1-ol
CID 91786370
6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154903423
6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride
CID 154902032
6-(3-aminocyclobutyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine;dihydrochloride
CID 154903096
6-(3-aminocyclobutyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902391
6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902558
6-(3-aminocyclobutyl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902047
6-(3-aminocyclobutyl)-N-methyl-N-(quinolin-3-ylmethyl)pyrimidin-4-amine
CID 91791964

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine (CID 91792506) is 6-(3-aminocyclobutyl)-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine is COCCCN(C)c1cc(C2CC(N)C2)ncn1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine?
The InChIKey is OTGPLWATAUBFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-17(4-3-5-18-2)13-8-12(15-9-16-13)10-6-11(14)7-10/h8-11H,3-7,14H2,1-2H3.
What are the key properties of 6-(3-aminocyclobutyl)-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine?
6-(3-aminocyclobutyl)-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 91792506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).