6-cyclobutyl-N-(2,2-diethoxyethyl)pyrimidin-4-amine

C14H23N3O2 — CID 126848098

IUPAC6-cyclobutyl-N-(2,2-diethoxyethyl)pyrimidin-4-amine
SMILESCCOC(CNc1cc(C2CCC2)ncn1)OCC
InChIInChI=1S/C14H23N3O2/c1-3-18-14(19-4-2)9-15-13-8-12(16-10-17-13)11-6-5-7-11/h8,10-11,14H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyYGTDNOYWFBSVGE-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.56
Rot. Bonds8

About 6-cyclobutyl-N-(2,2-diethoxyethyl)pyrimidin-4-amine

6-cyclobutyl-N-(2,2-diethoxyethyl)pyrimidin-4-amine (PubChem CID 126848098) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-cyclobutyl-N-(2,2-diethoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclobutyl-N-(2,2-diethoxyethyl)pyrimidin-4-amine
PubChem CID126848098
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name6-cyclobutyl-N-(2,2-diethoxyethyl)pyrimidin-4-amine
SMILESCCOC(CNc1cc(C2CCC2)ncn1)OCC
InChIInChI=1S/C14H23N3O2/c1-3-18-14(19-4-2)9-15-13-8-12(16-10-17-13)11-6-5-7-11/h8,10-11,14H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyYGTDNOYWFBSVGE-UHFFFAOYSA-N
XLogP2.56
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-diethoxyethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
CID 126848753
6-cyclobutyl-N-propylpyrimidin-4-amine
CID 126848136
1-N-(6-cyclopropylpyrimidin-4-yl)propane-1,2-diamine
CID 83830261
N-butan-2-yl-6-cyclobutylpyrimidin-4-amine
CID 126848123
2-[(6-cyclobutylpyrimidin-4-yl)amino]acetic acid
CID 126848131
6-cyclopentyl-N-propan-2-ylpyrimidin-4-amine
CID 126848182
6-cyclobutyl-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 171997091
6-(3-aminocyclobutyl)-N-(2-ethylbutyl)pyrimidin-4-amine;dihydrochloride
CID 154902483
6-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine
CID 171705218
6-cyclopropyl-N-[(2R)-2-pyridin-3-yloxypropyl]pyrimidin-4-amine
CID 97151701
ethyl 4-[(6-cyclobutylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 126849522
2-[(6-cyclopropylpyrimidin-4-yl)amino]ethanol;ethyl acetate
CID 174793793

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-N-(2,2-diethoxyethyl)pyrimidin-4-amine?
The IUPAC name of 6-cyclobutyl-N-(2,2-diethoxyethyl)pyrimidin-4-amine (CID 126848098) is 6-cyclobutyl-N-(2,2-diethoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclobutyl-N-(2,2-diethoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclobutyl-N-(2,2-diethoxyethyl)pyrimidin-4-amine is CCOC(CNc1cc(C2CCC2)ncn1)OCC.
What is the InChIKey of 6-cyclobutyl-N-(2,2-diethoxyethyl)pyrimidin-4-amine?
The InChIKey is YGTDNOYWFBSVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-18-14(19-4-2)9-15-13-8-12(16-10-17-13)11-6-5-7-11/h8,10-11,14H,3-7,9H2,1-2H3,(H,15,16,17).
What are the key properties of 6-cyclobutyl-N-(2,2-diethoxyethyl)pyrimidin-4-amine?
6-cyclobutyl-N-(2,2-diethoxyethyl)pyrimidin-4-amine has a molecular weight of 265.36 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-N-(2,2-diethoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 126848098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).