N-(2-chloroethyl)-7-methyl-N-pentan-3-ylthieno[3,2-d]pyrimidin-4-amine

C14H20ClN3S — CID 102687245

IUPACN-(2-chloroethyl)-7-methyl-N-pentan-3-ylthieno[3,2-d]pyrimidin-4-amine
SMILESCCC(CC)N(CCCl)c1ncnc2c(C)csc12
InChIInChI=1S/C14H20ClN3S/c1-4-11(5-2)18(7-6-15)14-13-12(16-9-17-14)10(3)8-19-13/h8-9,11H,4-7H2,1-3H3
InChIKeyKCMNQSAMQWCMBL-UHFFFAOYSA-N
MW297.86 g/mol
LogP4.23
Rot. Bonds6

About N-(2-chloroethyl)-7-methyl-N-pentan-3-ylthieno[3,2-d]pyrimidin-4-amine

N-(2-chloroethyl)-7-methyl-N-pentan-3-ylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 102687245) has the molecular formula C14H20ClN3S and a molecular weight of 297.86 g/mol. Its IUPAC name is N-(2-chloroethyl)-7-methyl-N-pentan-3-ylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-7-methyl-N-pentan-3-ylthieno[3,2-d]pyrimidin-4-amine
PubChem CID102687245
Molecular FormulaC14H20ClN3S
Molecular Weight297.86 g/mol
Exact Mass297.11
IUPAC NameN-(2-chloroethyl)-7-methyl-N-pentan-3-ylthieno[3,2-d]pyrimidin-4-amine
SMILESCCC(CC)N(CCCl)c1ncnc2c(C)csc12
InChIInChI=1S/C14H20ClN3S/c1-4-11(5-2)18(7-6-15)14-13-12(16-9-17-14)10(3)8-19-13/h8-9,11H,4-7H2,1-3H3
InChIKeyKCMNQSAMQWCMBL-UHFFFAOYSA-N
XLogP4.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.86
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-pentan-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 63390383
1-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)hydrazine
CID 146460535
7-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 102686927
1-methoxy-3-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propan-2-ol
CID 102687017
N-(3-bromopropyl)-N-cyclobutyl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102871211
methyl 2-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate
CID 102687114
7-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 106619830
4,7-dimethylthieno[3,2-d]pyrimidine;ethane
CID 143718970
4,7-dimethylthieno[3,2-d]pyrimidine;ethane
CID 143718992
N-[[4-(aminomethyl)phenyl]methyl]-N,7-dimethylthieno[3,2-d]pyrimidin-4-amine
CID 102686089
N,7-dimethyl-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 171328912
N-(1-chloro-4,4-dimethylpentan-3-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 106354476

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-7-methyl-N-pentan-3-ylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(2-chloroethyl)-7-methyl-N-pentan-3-ylthieno[3,2-d]pyrimidin-4-amine (CID 102687245) is N-(2-chloroethyl)-7-methyl-N-pentan-3-ylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-chloroethyl)-7-methyl-N-pentan-3-ylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-chloroethyl)-7-methyl-N-pentan-3-ylthieno[3,2-d]pyrimidin-4-amine is CCC(CC)N(CCCl)c1ncnc2c(C)csc12.
What is the InChIKey of N-(2-chloroethyl)-7-methyl-N-pentan-3-ylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is KCMNQSAMQWCMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3S/c1-4-11(5-2)18(7-6-15)14-13-12(16-9-17-14)10(3)8-19-13/h8-9,11H,4-7H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-7-methyl-N-pentan-3-ylthieno[3,2-d]pyrimidin-4-amine?
N-(2-chloroethyl)-7-methyl-N-pentan-3-ylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 297.86 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-7-methyl-N-pentan-3-ylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 102687245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).