N'-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine

C14H21ClN4S — CID 63693818

IUPACN'-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCc1sc2nc(CN(C)CCN(C)C)nc(Cl)c2c1C
InChIInChI=1S/C14H21ClN4S/c1-9-10(2)20-14-12(9)13(15)16-11(17-14)8-19(5)7-6-18(3)4/h6-8H2,1-5H3
InChIKeyQJIZZMAKESKACZ-UHFFFAOYSA-N
MW312.87 g/mol
LogP2.95
Rot. Bonds5

About N'-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 63693818) has the molecular formula C14H21ClN4S and a molecular weight of 312.87 g/mol. Its IUPAC name is N'-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID63693818
Molecular FormulaC14H21ClN4S
Molecular Weight312.87 g/mol
Exact Mass312.12
IUPAC NameN'-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCc1sc2nc(CN(C)CCN(C)C)nc(Cl)c2c1C
InChIInChI=1S/C14H21ClN4S/c1-9-10(2)20-14-12(9)13(15)16-11(17-14)8-19(5)7-6-18(3)4/h6-8H2,1-5H3
InChIKeyQJIZZMAKESKACZ-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 60890986
4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43146917
N-(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82309508
4-chloro-2-(3,3-dimethylbutyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 114211085
4-chloro-5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine
CID 2412396
N-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-(cyclobutylmethyl)ethanamine
CID 107398260
methyl 3-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanoate
CID 62013399
2-[[3-methoxypropyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 63007916
2-[[2-ethoxyethyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 81062922
4-chloro-5,6-dimethyl-2-(phenylmethoxymethyl)thieno[2,3-d]pyrimidine
CID 43146916
4-chloro-5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine
CID 62800354
4-chloro-5,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine
CID 60875988

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine (CID 63693818) is N'-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine is Cc1sc2nc(CN(C)CCN(C)C)nc(Cl)c2c1C.
What is the InChIKey of N'-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is QJIZZMAKESKACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4S/c1-9-10(2)20-14-12(9)13(15)16-11(17-14)8-19(5)7-6-18(3)4/h6-8H2,1-5H3.
What are the key properties of N'-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 312.87 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 63693818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).