N,5-dimethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine

C11H18N4S — CID 80795778

IUPACN,5-dimethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
SMILESCNc1ncnc(N2CCCSCC2)c1C
InChIInChI=1S/C11H18N4S/c1-9-10(12-2)13-8-14-11(9)15-4-3-6-16-7-5-15/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeySDHNCHWXWVSMSK-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.77
Rot. Bonds2

About N,5-dimethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine

N,5-dimethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine (PubChem CID 80795778) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is N,5-dimethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
PubChem CID80795778
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC NameN,5-dimethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
SMILESCNc1ncnc(N2CCCSCC2)c1C
InChIInChI=1S/C11H18N4S/c1-9-10(12-2)13-8-14-11(9)15-4-3-6-16-7-5-15/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeySDHNCHWXWVSMSK-UHFFFAOYSA-N
XLogP1.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,5-dimethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 80795248
[5-ethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-yl]hydrazine
CID 80896615
N-methyl-5-nitro-6-thiomorpholin-4-ylpyrimidin-4-amine
CID 112730962
5-ethyl-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 80796184
N,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
CID 80830675
3,5-difluoro-N-methyl-6-(1,4-thiazepan-4-yl)pyridin-2-amine
CID 114074216
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5-dimethylpyrimidin-4-amine
CID 80767214
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethylpyrimidin-4-amine
CID 104961748
N,5-dimethyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 114541822
2-[1-[5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 80806727
2-tert-butyl-N,5-dimethyl-6-thiomorpholin-4-ylpyrimidin-4-amine
CID 80981364
5-ethyl-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80763765

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine?
The IUPAC name of N,5-dimethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine (CID 80795778) is N,5-dimethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N,5-dimethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine?
The canonical SMILES for N,5-dimethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine is CNc1ncnc(N2CCCSCC2)c1C.
What is the InChIKey of N,5-dimethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine?
The InChIKey is SDHNCHWXWVSMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-9-10(12-2)13-8-14-11(9)15-4-3-6-16-7-5-15/h8H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of N,5-dimethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine?
N,5-dimethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine has a molecular weight of 238.36 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 80795778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).