6-methyl-N-(2-oxaspiro[3.3]heptan-6-yl)pyrimidin-4-amine

C11H15N3O — CID 90249167

IUPAC6-methyl-N-(2-oxaspiro[3.3]heptan-6-yl)pyrimidin-4-amine
SMILESCc1cc(NC2CC3(COC3)C2)ncn1
InChIInChI=1S/C11H15N3O/c1-8-2-10(13-7-12-8)14-9-3-11(4-9)5-15-6-11/h2,7,9H,3-6H2,1H3,(H,12,13,14)
InChIKeyMAFZOBIAYAQXOQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.38
Rot. Bonds2

About 6-methyl-N-(2-oxaspiro[3.3]heptan-6-yl)pyrimidin-4-amine

6-methyl-N-(2-oxaspiro[3.3]heptan-6-yl)pyrimidin-4-amine (PubChem CID 90249167) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-methyl-N-(2-oxaspiro[3.3]heptan-6-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(2-oxaspiro[3.3]heptan-6-yl)pyrimidin-4-amine
PubChem CID90249167
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name6-methyl-N-(2-oxaspiro[3.3]heptan-6-yl)pyrimidin-4-amine
SMILESCc1cc(NC2CC3(COC3)C2)ncn1
InChIInChI=1S/C11H15N3O/c1-8-2-10(13-7-12-8)14-9-3-11(4-9)5-15-6-11/h2,7,9H,3-6H2,1H3,(H,12,13,14)
InChIKeyMAFZOBIAYAQXOQ-UHFFFAOYSA-N
XLogP1.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 16876383
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
N-(3,5-dimethylcyclohexyl)-6-methylpyrimidin-4-amine
CID 64723771
cis-(1R,3S)-3-[(6-methylpyrimidin-4-yl)amino]cyclopentan-1-ol
CID 130643849
1-N-(6-methylpyrimidin-4-yl)cyclopropane-1,2-diamine
CID 61226903
N-methyl-3-[(6-methylpyrimidin-4-yl)amino]azetidine-1-carboxamide
CID 118553740
N-(3-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 133399476
(1S,2S,4R)-2-(hydroxymethyl)-4-[(6-methylpyrimidin-4-yl)amino]cyclopentan-1-ol
CID 59671218
6-methyl-N-(2-methyloxolan-3-yl)pyrimidin-4-amine
CID 82728623
6-chloro-N-spiro[3.3]heptan-2-ylpyrimidin-4-amine
CID 164653582
N-(1,2-dimethylpiperidin-4-yl)-6-methylpyrimidin-4-amine
CID 79033350
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone
CID 126887514

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-oxaspiro[3.3]heptan-6-yl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(2-oxaspiro[3.3]heptan-6-yl)pyrimidin-4-amine (CID 90249167) is 6-methyl-N-(2-oxaspiro[3.3]heptan-6-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(2-oxaspiro[3.3]heptan-6-yl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(2-oxaspiro[3.3]heptan-6-yl)pyrimidin-4-amine is Cc1cc(NC2CC3(COC3)C2)ncn1.
What is the InChIKey of 6-methyl-N-(2-oxaspiro[3.3]heptan-6-yl)pyrimidin-4-amine?
The InChIKey is MAFZOBIAYAQXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-2-10(13-7-12-8)14-9-3-11(4-9)5-15-6-11/h2,7,9H,3-6H2,1H3,(H,12,13,14).
What are the key properties of 6-methyl-N-(2-oxaspiro[3.3]heptan-6-yl)pyrimidin-4-amine?
6-methyl-N-(2-oxaspiro[3.3]heptan-6-yl)pyrimidin-4-amine has a molecular weight of 205.26 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-oxaspiro[3.3]heptan-6-yl)pyrimidin-4-amine is sourced from PubChem (CID 90249167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).