N-[(2-aminophenyl)methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

C16H18N4S — CID 60869060

IUPACN-[(2-aminophenyl)methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(N(C)Cc3ccccc3N)c2c1C
InChIInChI=1S/C16H18N4S/c1-10-11(2)21-16-14(10)15(18-9-19-16)20(3)8-12-6-4-5-7-13(12)17/h4-7,9H,8,17H2,1-3H3
InChIKeyBCNGVYKWBSXTHX-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.53
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

N-[(2-aminophenyl)methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 60869060) has the molecular formula C16H18N4S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID60869060
Molecular FormulaC16H18N4S
Molecular Weight298.41 g/mol
Exact Mass298.13
IUPAC NameN-[(2-aminophenyl)methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(N(C)Cc3ccccc3N)c2c1C
InChIInChI=1S/C16H18N4S/c1-10-11(2)21-16-14(10)15(18-9-19-16)20(3)8-12-6-4-5-7-13(12)17/h4-7,9H,8,17H2,1-3H3
InChIKeyBCNGVYKWBSXTHX-UHFFFAOYSA-N
XLogP3.53
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 8567987
2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethyl]aniline
CID 102902774
N-[(2-aminophenyl)methyl]-N-methylquinazolin-4-amine
CID 60894383
N,N,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 146120860
N-(2-chloropropyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 63392466
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanesulfonamide
CID 138030516
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 9196022
methyl 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propanoate
CID 62006529
N-(1-bromopropan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 104555275
methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]butanoate
CID 62004622
N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 15985074
N-(2,5-dimethylphenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
CID 9110827

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (CID 60869060) is N-[(2-aminophenyl)methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(N(C)Cc3ccccc3N)c2c1C.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BCNGVYKWBSXTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-10-11(2)21-16-14(10)15(18-9-19-16)20(3)8-12-6-4-5-7-13(12)17/h4-7,9H,8,17H2,1-3H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
N-[(2-aminophenyl)methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 298.41 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 60869060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).