N,N-dimethyl-6-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine

C18H24N6O2 — CID 124814561

IUPACN,N-dimethyl-6-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine
SMILESCc1ccnc(O[C@H]2CCOC3(C2)CN(c2cc(N(C)C)ncn2)C3)n1
InChIInChI=1S/C18H24N6O2/c1-13-4-6-19-17(22-13)26-14-5-7-25-18(9-14)10-24(11-18)16-8-15(23(2)3)20-12-21-16/h4,6,8,12,14H,5,7,9-11H2,1-3H3/t14-/m0/s1
InChIKeyFTNVFNNPXNKUAM-AWEZNQCLSA-N
MW356.43 g/mol
LogP1.46
Rot. Bonds4

About N,N-dimethyl-6-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine

N,N-dimethyl-6-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine (PubChem CID 124814561) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N,N-dimethyl-6-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine
PubChem CID124814561
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN,N-dimethyl-6-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine
SMILESCc1ccnc(O[C@H]2CCOC3(C2)CN(c2cc(N(C)C)ncn2)C3)n1
InChIInChI=1S/C18H24N6O2/c1-13-4-6-19-17(22-13)26-14-5-7-25-18(9-14)10-24(11-18)16-8-15(23(2)3)20-12-21-16/h4,6,8,12,14H,5,7,9-11H2,1-3H3/t14-/m0/s1
InChIKeyFTNVFNNPXNKUAM-AWEZNQCLSA-N
XLogP1.46
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-6-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine (CID 124814561) is N,N-dimethyl-6-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-6-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine is Cc1ccnc(O[C@H]2CCOC3(C2)CN(c2cc(N(C)C)ncn2)C3)n1.
What is the InChIKey of N,N-dimethyl-6-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine?
The InChIKey is FTNVFNNPXNKUAM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-13-4-6-19-17(22-13)26-14-5-7-25-18(9-14)10-24(11-18)16-8-15(23(2)3)20-12-21-16/h4,6,8,12,14H,5,7,9-11H2,1-3H3/t14-/m0/s1.
What are the key properties of N,N-dimethyl-6-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine?
N,N-dimethyl-6-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine has a molecular weight of 356.43 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 124814561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).