N-(4-chloro-2-methylbutan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine

C12H16ClN3S — CID 102687337

IUPACN-(4-chloro-2-methylbutan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NC(C)(C)CCCl)ncnc12
InChIInChI=1S/C12H16ClN3S/c1-8-6-17-10-9(8)14-7-15-11(10)16-12(2,3)4-5-13/h6-7H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyYXMOCXBSHFLTSK-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.82
Rot. Bonds4

About N-(4-chloro-2-methylbutan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine

N-(4-chloro-2-methylbutan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 102687337) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is N-(4-chloro-2-methylbutan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methylbutan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID102687337
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC NameN-(4-chloro-2-methylbutan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NC(C)(C)CCCl)ncnc12
InChIInChI=1S/C12H16ClN3S/c1-8-6-17-10-9(8)14-7-15-11(10)16-12(2,3)4-5-13/h6-7H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyYXMOCXBSHFLTSK-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

7-methyl-N-(2-methylpentan-2-yl)thieno[3,2-d]pyrimidin-4-amine
CID 102686676
N-[2-(chloromethyl)-2-ethylbutyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 114164376
N-(1-chloro-2-phenylpropan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102687350
N-(1-chloro-4,4-dimethylpentan-3-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 106354476
2,2-dimethyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine
CID 106142308
N,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686940
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 102686736
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 102686862
N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686176
N-[(4-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686195
N-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686671
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 106842572

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylbutan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(4-chloro-2-methylbutan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 102687337) is N-(4-chloro-2-methylbutan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-chloro-2-methylbutan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-chloro-2-methylbutan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine is Cc1csc2c(NC(C)(C)CCCl)ncnc12.
What is the InChIKey of N-(4-chloro-2-methylbutan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is YXMOCXBSHFLTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3S/c1-8-6-17-10-9(8)14-7-15-11(10)16-12(2,3)4-5-13/h6-7H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of N-(4-chloro-2-methylbutan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
N-(4-chloro-2-methylbutan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 269.80 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylbutan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 102687337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).