(6-methoxypyrimidin-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine

C15H23N3O2S — CID 102950732

IUPAC(6-methoxypyrimidin-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
SMILESCOc1cc(C(N)C2CCOC3(CCSCC3)C2)ncn1
InChIInChI=1S/C15H23N3O2S/c1-19-13-8-12(17-10-18-13)14(16)11-2-5-20-15(9-11)3-6-21-7-4-15/h8,10-11,14H,2-7,9,16H2,1H3
InChIKeyULARUHVOJNQTDC-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.18
Rot. Bonds3

About (6-methoxypyrimidin-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine

(6-methoxypyrimidin-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine (PubChem CID 102950732) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is (6-methoxypyrimidin-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine.

Molecular Properties

Compound Name(6-methoxypyrimidin-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
PubChem CID102950732
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name(6-methoxypyrimidin-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
SMILESCOc1cc(C(N)C2CCOC3(CCSCC3)C2)ncn1
InChIInChI=1S/C15H23N3O2S/c1-19-13-8-12(17-10-18-13)14(16)11-2-5-20-15(9-11)3-6-21-7-4-15/h8,10-11,14H,2-7,9,16H2,1H3
InChIKeyULARUHVOJNQTDC-UHFFFAOYSA-N
XLogP2.18
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 102951342
[(6-methoxypyrimidin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 102953258
1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 102951343
[2,6-dioxaspiro[4.5]decan-9-yl-(6-methoxypyrimidin-4-yl)methyl]hydrazine
CID 102953442
(2-methyl-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 106755669
(6-methoxy-2-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 103348252
1-oxa-9-thiaspiro[5.5]undecan-4-yl(1H-1,2,4-triazol-5-yl)methanamine
CID 79911337
(2-bromo-4-methylphenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 105018090
(3,5-difluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79908412
(4-methyl-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914757
(3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 104804592
(4-bromothiophen-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79914498

Frequently Asked Questions

What is the IUPAC name of (6-methoxypyrimidin-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
The IUPAC name of (6-methoxypyrimidin-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine (CID 102950732) is (6-methoxypyrimidin-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine.
What is the SMILES notation for (6-methoxypyrimidin-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
The canonical SMILES for (6-methoxypyrimidin-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine is COc1cc(C(N)C2CCOC3(CCSCC3)C2)ncn1.
What is the InChIKey of (6-methoxypyrimidin-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
The InChIKey is ULARUHVOJNQTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-19-13-8-12(17-10-18-13)14(16)11-2-5-20-15(9-11)3-6-21-7-4-15/h8,10-11,14H,2-7,9,16H2,1H3.
What are the key properties of (6-methoxypyrimidin-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
(6-methoxypyrimidin-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine has a molecular weight of 309.44 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyrimidin-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine is sourced from PubChem (CID 102950732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).