N-[(3,4,5-trimethoxyphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine

C16H17N3O3S — CID 163723742

IUPACN-[(3,4,5-trimethoxyphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine
SMILESCOc1cc(CNc2ncc3sccc3n2)cc(OC)c1OC
InChIInChI=1S/C16H17N3O3S/c1-20-12-6-10(7-13(21-2)15(12)22-3)8-17-16-18-9-14-11(19-16)4-5-23-14/h4-7,9H,8H2,1-3H3,(H,17,18,19)
InChIKeyKTVFHNCKEOUPFC-UHFFFAOYSA-N
MW331.40 g/mol
LogP3.33
Rot. Bonds6

About N-[(3,4,5-trimethoxyphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine

N-[(3,4,5-trimethoxyphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine (PubChem CID 163723742) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[(3,4,5-trimethoxyphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3,4,5-trimethoxyphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine
PubChem CID163723742
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[(3,4,5-trimethoxyphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine
SMILESCOc1cc(CNc2ncc3sccc3n2)cc(OC)c1OC
InChIInChI=1S/C16H17N3O3S/c1-20-12-6-10(7-13(21-2)15(12)22-3)8-17-16-18-9-14-11(19-16)4-5-23-14/h4-7,9H,8H2,1-3H3,(H,17,18,19)
InChIKeyKTVFHNCKEOUPFC-UHFFFAOYSA-N
XLogP3.33
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 171705192
N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 868190
5-(4-methoxyphenyl)-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 171989060
6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
CID 78851491
6-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
CID 103926109
2-N-benzyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 23452352
4-phenylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 24989920
2-N-cyclohexyl-4-N,6-N-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 59302702
N-[(E)-pent-2-en-2-yl]thieno[3,2-d]pyrimidin-2-amine
CID 155032361
6-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-2-amine
CID 60579306
N-[2-(5-fluoro-2-pyridinyl)propyl]thieno[3,2-d]pyrimidin-2-amine
CID 166395521
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855

Frequently Asked Questions

What is the IUPAC name of N-[(3,4,5-trimethoxyphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of N-[(3,4,5-trimethoxyphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine (CID 163723742) is N-[(3,4,5-trimethoxyphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N-[(3,4,5-trimethoxyphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N-[(3,4,5-trimethoxyphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine is COc1cc(CNc2ncc3sccc3n2)cc(OC)c1OC.
What is the InChIKey of N-[(3,4,5-trimethoxyphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is KTVFHNCKEOUPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-20-12-6-10(7-13(21-2)15(12)22-3)8-17-16-18-9-14-11(19-16)4-5-23-14/h4-7,9H,8H2,1-3H3,(H,17,18,19).
What are the key properties of N-[(3,4,5-trimethoxyphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine?
N-[(3,4,5-trimethoxyphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 331.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4,5-trimethoxyphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 163723742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).