N-ethyl-2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine

C16H18N4S — CID 62178950

IUPACN-ethyl-2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CN(C)c2ccccc2)nc2sccc12
InChIInChI=1S/C16H18N4S/c1-3-17-15-13-9-10-21-16(13)19-14(18-15)11-20(2)12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3,(H,17,18,19)
InChIKeyXHKGBVJUKRMOEN-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.76
Rot. Bonds5

About N-ethyl-2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine

N-ethyl-2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62178950) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is N-ethyl-2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62178950
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC NameN-ethyl-2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CN(C)c2ccccc2)nc2sccc12
InChIInChI=1S/C16H18N4S/c1-3-17-15-13-9-10-21-16(13)19-14(18-15)11-20(2)12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3,(H,17,18,19)
InChIKeyXHKGBVJUKRMOEN-UHFFFAOYSA-N
XLogP3.76
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183378
2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62177002
2-[(N,3-dimethylanilino)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62184069
N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,3-dimethylaniline
CID 62246450
N-ethyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 62188842
N-ethyl-2-(methoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194555
N-ethyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62184037
2-[(4-bromophenyl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 63486940
2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62208085
N-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62208153
2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62182738
N-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178577

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 62178950) is N-ethyl-2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine is CCNc1nc(CN(C)c2ccccc2)nc2sccc12.
What is the InChIKey of N-ethyl-2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XHKGBVJUKRMOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-3-17-15-13-9-10-21-16(13)19-14(18-15)11-20(2)12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-ethyl-2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 298.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62178950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).