2-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrimidin-4-amine

C14H22N4O — CID 135100061

IUPAC2-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrimidin-4-amine
SMILESCc1nccc(NCC2CC3(CCNCC3)CO2)n1
InChIInChI=1S/C14H22N4O/c1-11-16-5-2-13(18-11)17-9-12-8-14(10-19-12)3-6-15-7-4-14/h2,5,12,15H,3-4,6-10H2,1H3,(H,16,17,18)
InChIKeyBLBQIGDHWHRWOJ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.36
Rot. Bonds3

About 2-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrimidin-4-amine

2-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrimidin-4-amine (PubChem CID 135100061) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrimidin-4-amine
PubChem CID135100061
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrimidin-4-amine
SMILESCc1nccc(NCC2CC3(CCNCC3)CO2)n1
InChIInChI=1S/C14H22N4O/c1-11-16-5-2-13(18-11)17-9-12-8-14(10-19-12)3-6-15-7-4-14/h2,5,12,15H,3-4,6-10H2,1H3,(H,16,17,18)
InChIKeyBLBQIGDHWHRWOJ-UHFFFAOYSA-N
XLogP1.36
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrimidin-4-amine (CID 135100061) is 2-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrimidin-4-amine is Cc1nccc(NCC2CC3(CCNCC3)CO2)n1.
What is the InChIKey of 2-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is BLBQIGDHWHRWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11-16-5-2-13(18-11)17-9-12-8-14(10-19-12)3-6-15-7-4-14/h2,5,12,15H,3-4,6-10H2,1H3,(H,16,17,18).
What are the key properties of 2-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrimidin-4-amine?
2-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 262.36 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 135100061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).