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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Related Compounds

3-N,3-N-dimethyl-2-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrazine-2,3-diamine;dihydrochloride
CID 154918332
6,8-dimethoxy-4-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)quinolin-2-amine;hydrochloride
CID 154915409
5-[[(2-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide
CID 133380627
3-[[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decane
CID 154820414
4-(5-amino-1H-pyrazol-4-yl)-N-[(8-methyl-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine
CID 70313921
2-methyl-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride
CID 67373203
3-[2-(dimethylamino)pyrimidin-5-yl]-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)prop-2-enamide
CID 171139889
2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine
CID 114694448
2-methyl-N-[[(1S)-6-phenyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]pyrimidin-4-amine
CID 57227156
acetic acid;3-[[2-(2,3-dihydro-1-benzofuran-5-yl)imidazol-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decane
CID 154919627
2-hydroxy-6-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride
CID 154918040
2-hydroxy-4-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride
CID 154917317

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).