5-(2-azaspiro[4.4]nonan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine

C18H28N4O — CID 99930314

IUPAC5-(2-azaspiro[4.4]nonan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESc1nc(NC[C@@H]2CCCO2)ncc1CN1CCC2(CCCC2)C1
InChIInChI=1S/C18H28N4O/c1-2-6-18(5-1)7-8-22(14-18)13-15-10-19-17(20-11-15)21-12-16-4-3-9-23-16/h10-11,16H,1-9,12-14H2,(H,19,20,21)/t16-/m0/s1
InChIKeyVWXJYCXPZAJEJU-INIZCTEOSA-N
MW316.45 g/mol
LogP2.83
Rot. Bonds5

About 5-(2-azaspiro[4.4]nonan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine

5-(2-azaspiro[4.4]nonan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine (PubChem CID 99930314) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 5-(2-azaspiro[4.4]nonan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-azaspiro[4.4]nonan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
PubChem CID99930314
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name5-(2-azaspiro[4.4]nonan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESc1nc(NC[C@@H]2CCCO2)ncc1CN1CCC2(CCCC2)C1
InChIInChI=1S/C18H28N4O/c1-2-6-18(5-1)7-8-22(14-18)13-15-10-19-17(20-11-15)21-12-16-4-3-9-23-16/h10-11,16H,1-9,12-14H2,(H,19,20,21)/t16-/m0/s1
InChIKeyVWXJYCXPZAJEJU-INIZCTEOSA-N
XLogP2.83
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2-azaspiro[4.4]nonan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

5-(2-azaspiro[4.4]nonan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99930315
5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;dihydrochloride
CID 154904060
5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99941314
N-(oxolan-2-ylmethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrimidin-2-amine
CID 72887651
5-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 135119831
9-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 134078868
5-[[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99948728
5-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99931126
[1-ethyl-5-[[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
CID 99930900
morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252032
5-[[2-(azepan-1-yl)ethyl-methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124679926
5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 61145596

Frequently Asked Questions

What is the IUPAC name of 5-(2-azaspiro[4.4]nonan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-(2-azaspiro[4.4]nonan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine (CID 99930314) is 5-(2-azaspiro[4.4]nonan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-(2-azaspiro[4.4]nonan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-(2-azaspiro[4.4]nonan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine is c1nc(NC[C@@H]2CCCO2)ncc1CN1CCC2(CCCC2)C1.
What is the InChIKey of 5-(2-azaspiro[4.4]nonan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is VWXJYCXPZAJEJU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N4O/c1-2-6-18(5-1)7-8-22(14-18)13-15-10-19-17(20-11-15)21-12-16-4-3-9-23-16/h10-11,16H,1-9,12-14H2,(H,19,20,21)/t16-/m0/s1.
What are the key properties of 5-(2-azaspiro[4.4]nonan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine?
5-(2-azaspiro[4.4]nonan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 316.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azaspiro[4.4]nonan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 99930314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).