N-ethyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine

C14H17N5S2 — CID 62184037

IUPACN-ethyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CN(C)Cc2cscn2)nc2sccc12
InChIInChI=1S/C14H17N5S2/c1-3-15-13-11-4-5-21-14(11)18-12(17-13)7-19(2)6-10-8-20-9-16-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,17,18)
InChIKeySJRRYUKXVRFUIM-UHFFFAOYSA-N
MW319.46 g/mol
LogP3.21
Rot. Bonds6

About N-ethyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine

N-ethyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62184037) has the molecular formula C14H17N5S2 and a molecular weight of 319.46 g/mol. Its IUPAC name is N-ethyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62184037
Molecular FormulaC14H17N5S2
Molecular Weight319.46 g/mol
Exact Mass319.09
IUPAC NameN-ethyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CN(C)Cc2cscn2)nc2sccc12
InChIInChI=1S/C14H17N5S2/c1-3-15-13-11-4-5-21-14(11)18-12(17-13)7-19(2)6-10-8-20-9-16-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,17,18)
InChIKeySJRRYUKXVRFUIM-UHFFFAOYSA-N
XLogP3.21
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-ethyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-ethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183378
N-ethyl-2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178950
2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62208085
N-ethyl-2-(methoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194555
2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62182738
N-ethyl-2-[(4-fluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62193882
N-ethyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridin-2-amine
CID 55075130
2-[(4-bromophenyl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 63486940
N-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178577
2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62183349
2-[methyl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide
CID 62183982
2-hydrazinyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103333777

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 62184037) is N-ethyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine is CCNc1nc(CN(C)Cc2cscn2)nc2sccc12.
What is the InChIKey of N-ethyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SJRRYUKXVRFUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S2/c1-3-15-13-11-4-5-21-14(11)18-12(17-13)7-19(2)6-10-8-20-9-16-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,17,18).
What are the key properties of N-ethyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
N-ethyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 319.46 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62184037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).