5-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine

C18H28N4O2 — CID 99940329

IUPAC5-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESc1nc(NC[C@H]2CCCO2)ncc1CN1CCOC2(CCCC2)C1
InChIInChI=1S/C18H28N4O2/c1-2-6-18(5-1)14-22(7-9-24-18)13-15-10-19-17(20-11-15)21-12-16-4-3-8-23-16/h10-11,16H,1-9,12-14H2,(H,19,20,21)/t16-/m1/s1
InChIKeyDMHGNLKSFMXEND-MRXNPFEDSA-N
MW332.45 g/mol
LogP2.21
Rot. Bonds5

About 5-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine

5-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine (PubChem CID 99940329) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
PubChem CID99940329
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name5-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESc1nc(NC[C@H]2CCCO2)ncc1CN1CCOC2(CCCC2)C1
InChIInChI=1S/C18H28N4O2/c1-2-6-18(5-1)14-22(7-9-24-18)13-15-10-19-17(20-11-15)21-12-16-4-3-8-23-16/h10-11,16H,1-9,12-14H2,(H,19,20,21)/t16-/m1/s1
InChIKeyDMHGNLKSFMXEND-MRXNPFEDSA-N
XLogP2.21
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine (CID 99940329) is 5-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine is c1nc(NC[C@H]2CCCO2)ncc1CN1CCOC2(CCCC2)C1.
What is the InChIKey of 5-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is DMHGNLKSFMXEND-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-6-18(5-1)14-22(7-9-24-18)13-15-10-19-17(20-11-15)21-12-16-4-3-8-23-16/h10-11,16H,1-9,12-14H2,(H,19,20,21)/t16-/m1/s1.
What are the key properties of 5-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
5-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 332.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 99940329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).