N-[(2-aminophenyl)methyl]-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine

C16H18N4S — CID 60876647

IUPACN-[(2-aminophenyl)methyl]-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)N(Cc1ccccc1N)c1ncnc2sccc12
InChIInChI=1S/C16H18N4S/c1-11(2)20(9-12-5-3-4-6-14(12)17)15-13-7-8-21-16(13)19-10-18-15/h3-8,10-11H,9,17H2,1-2H3
InChIKeyLAYUENIJNJLJTH-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.69
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine

N-[(2-aminophenyl)methyl]-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 60876647) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID60876647
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC NameN-[(2-aminophenyl)methyl]-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)N(Cc1ccccc1N)c1ncnc2sccc12
InChIInChI=1S/C16H18N4S/c1-11(2)20(9-12-5-3-4-6-14(12)17)15-13-7-8-21-16(13)19-10-18-15/h3-8,10-11H,9,17H2,1-2H3
InChIKeyLAYUENIJNJLJTH-UHFFFAOYSA-N
XLogP3.69
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.69
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-[(2-aminophenyl)methyl]-N-propan-2-ylpyrimidin-2-amine
CID 60875898
N-[(2-aminophenyl)methyl]-N-propan-2-ylfuro[3,2-c]pyridin-4-amine
CID 106535415
N-(2-chloroethyl)-N-pentan-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 63390383
N-[(2-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 61225311
6-[(2-aminophenyl)methyl-propan-2-ylamino]pyridine-3-carbonitrile
CID 60874951
N-[(2-aminophenyl)methyl]-3-bromo-5-chloro-N-propan-2-ylpyridin-2-amine
CID 114836412
N-[(2-aminophenyl)methyl]-6-ethyl-N-propan-2-ylpyrimidin-4-amine
CID 61239358
N-[(2-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine
CID 114476643
N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 65208717
N-[(2-aminophenyl)methyl]-N-ethylquinazolin-4-amine
CID 60894206
4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 79917686
N'-ethyl-N-propan-2-yl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 62588191

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 60876647) is N-[(2-aminophenyl)methyl]-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine is CC(C)N(Cc1ccccc1N)c1ncnc2sccc12.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LAYUENIJNJLJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-11(2)20(9-12-5-3-4-6-14(12)17)15-13-7-8-21-16(13)19-10-18-15/h3-8,10-11H,9,17H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?
N-[(2-aminophenyl)methyl]-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 298.42 g/mol, XLogP of 3.69, 4 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-propan-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 60876647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).