N-[2-(chloromethyl)-2-ethylbutyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

C14H20ClN3S — CID 114164376

IUPACN-[2-(chloromethyl)-2-ethylbutyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCCC(CC)(CCl)CNc1ncnc2c(C)csc12
InChIInChI=1S/C14H20ClN3S/c1-4-14(5-2,7-15)8-16-13-12-11(17-9-18-13)10(3)6-19-12/h6,9H,4-5,7-8H2,1-3H3,(H,16,17,18)
InChIKeyJUDWPRNITNWCGN-UHFFFAOYSA-N
MW297.86 g/mol
LogP4.46
Rot. Bonds6

About N-[2-(chloromethyl)-2-ethylbutyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

N-[2-(chloromethyl)-2-ethylbutyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 114164376) has the molecular formula C14H20ClN3S and a molecular weight of 297.86 g/mol. Its IUPAC name is N-[2-(chloromethyl)-2-ethylbutyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(chloromethyl)-2-ethylbutyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID114164376
Molecular FormulaC14H20ClN3S
Molecular Weight297.86 g/mol
Exact Mass297.11
IUPAC NameN-[2-(chloromethyl)-2-ethylbutyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCCC(CC)(CCl)CNc1ncnc2c(C)csc12
InChIInChI=1S/C14H20ClN3S/c1-4-14(5-2,7-15)8-16-13-12-11(17-9-18-13)10(3)6-19-12/h6,9H,4-5,7-8H2,1-3H3,(H,16,17,18)
InChIKeyJUDWPRNITNWCGN-UHFFFAOYSA-N
XLogP4.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.86
LogP ≤ 54.46
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

2,2-dimethyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine
CID 106142308
N-(4-chloro-2-methylbutan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102687337
7-methyl-N-(2-methylpentan-2-yl)thieno[3,2-d]pyrimidin-4-amine
CID 102686676
N-(1-chloro-2-phenylpropan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102687350
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
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 106842572
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 102686862
N-(1-chloro-4,4-dimethylpentan-3-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 106354476
N,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686940
7-methyl-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686243
N-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686671

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)-2-ethylbutyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(chloromethyl)-2-ethylbutyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 114164376) is N-[2-(chloromethyl)-2-ethylbutyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(chloromethyl)-2-ethylbutyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(chloromethyl)-2-ethylbutyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is CCC(CC)(CCl)CNc1ncnc2c(C)csc12.
What is the InChIKey of N-[2-(chloromethyl)-2-ethylbutyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is JUDWPRNITNWCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3S/c1-4-14(5-2,7-15)8-16-13-12-11(17-9-18-13)10(3)6-19-12/h6,9H,4-5,7-8H2,1-3H3,(H,16,17,18).
What are the key properties of N-[2-(chloromethyl)-2-ethylbutyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
N-[2-(chloromethyl)-2-ethylbutyl]-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 297.86 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)-2-ethylbutyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 114164376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).