6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine

C14H24N4S — CID 107460240

IUPAC6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(N2CCSC(C)(C)CC2)n1
InChIInChI=1S/C14H24N4S/c1-10(2)13-16-11(15)9-12(17-13)18-6-5-14(3,4)19-8-7-18/h9-10H,5-8H2,1-4H3,(H2,15,16,17)
InChIKeyYKBYTQOWGVPPMV-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.90
Rot. Bonds2

About 6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine

6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 107460240) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID107460240
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(N2CCSC(C)(C)CC2)n1
InChIInChI=1S/C14H24N4S/c1-10(2)13-16-11(15)9-12(17-13)18-6-5-14(3,4)19-8-7-18/h9-10H,5-8H2,1-4H3,(H2,15,16,17)
InChIKeyYKBYTQOWGVPPMV-UHFFFAOYSA-N
XLogP2.90
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylpyrimidin-4-amine
CID 107460206
6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 107460198
1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322370
4-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-7,7-dimethyl-1,4-thiazepane
CID 107458292
2-propan-2-yl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 114541833
[2-tert-butyl-6-(7,7-dimethyl-1,4-thiazepan-4-yl)-4-pyridinyl]methanamine
CID 107459606
4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-ol
CID 80702341
6-(3,4-dimethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80958087
1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 80960978
5-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-methyl-3-propan-2-ylpyrazol-4-amine
CID 107452871
3,5-dichloro-4-(7,7-dimethyl-1,4-thiazepan-4-yl)aniline
CID 107453113
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80958892

Frequently Asked Questions

What is the IUPAC name of 6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine (CID 107460240) is 6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(N)cc(N2CCSC(C)(C)CC2)n1.
What is the InChIKey of 6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is YKBYTQOWGVPPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-10(2)13-16-11(15)9-12(17-13)18-6-5-14(3,4)19-8-7-18/h9-10H,5-8H2,1-4H3,(H2,15,16,17).
What are the key properties of 6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine?
6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 280.44 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 107460240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).