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

C16H17N3OS — CID 62188844

IUPACN-ethyl-2-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(Cc2ccccc2OC)nc2sccc12
InChIInChI=1S/C16H17N3OS/c1-3-17-15-12-8-9-21-16(12)19-14(18-15)10-11-6-4-5-7-13(11)20-2/h4-9H,3,10H2,1-2H3,(H,17,18,19)
InChIKeyPNXMHPKPTJBMBC-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.72
Rot. Bonds5

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

N-ethyl-2-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62188844) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-ethyl-2-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62188844
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-ethyl-2-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(Cc2ccccc2OC)nc2sccc12
InChIInChI=1S/C16H17N3OS/c1-3-17-15-12-8-9-21-16(12)19-14(18-15)10-11-6-4-5-7-13(11)20-2/h4-9H,3,10H2,1-2H3,(H,17,18,19)
InChIKeyPNXMHPKPTJBMBC-UHFFFAOYSA-N
XLogP3.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(methoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194555
2-[(2-methylphenyl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63485368
2-[(4-bromophenyl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 63486940
N-ethyl-2-[2-(2-methoxyethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 102928811
N-ethyl-2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178950
N-ethyl-2-[(4-fluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62193882
N-ethyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 62188842
N-ethyl-2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 55045080
N-ethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183378
N,6-diethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 62190751
N-ethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 55045486
2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62182349

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 62188844) is N-ethyl-2-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is CCNc1nc(Cc2ccccc2OC)nc2sccc12.
What is the InChIKey of N-ethyl-2-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PNXMHPKPTJBMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-3-17-15-12-8-9-21-16(12)19-14(18-15)10-11-6-4-5-7-13(11)20-2/h4-9H,3,10H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-2-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-ethyl-2-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 299.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62188844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).