N-[(2-chlorophenyl)methylideneamino]-6-propan-2-ylthieno[2,3-d]pyrimidin-4-amine

C16H15ClN4S — CID 139987696

IUPACN-[(2-chlorophenyl)methylideneamino]-6-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1cc2c(NN=Cc3ccccc3Cl)ncnc2s1
InChIInChI=1S/C16H15ClN4S/c1-10(2)14-7-12-15(18-9-19-16(12)22-14)21-20-8-11-5-3-4-6-13(11)17/h3-10H,1-2H3,(H,18,19,21)
InChIKeyCCDXFRSEVFLSTL-UHFFFAOYSA-N
MW330.84 g/mol
LogP4.91
Rot. Bonds4

About N-[(2-chlorophenyl)methylideneamino]-6-propan-2-ylthieno[2,3-d]pyrimidin-4-amine

N-[(2-chlorophenyl)methylideneamino]-6-propan-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 139987696) has the molecular formula C16H15ClN4S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylideneamino]-6-propan-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylideneamino]-6-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID139987696
Molecular FormulaC16H15ClN4S
Molecular Weight330.84 g/mol
Exact Mass330.07
IUPAC NameN-[(2-chlorophenyl)methylideneamino]-6-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1cc2c(NN=Cc3ccccc3Cl)ncnc2s1
InChIInChI=1S/C16H15ClN4S/c1-10(2)14-7-12-15(18-9-19-16(12)22-14)21-20-8-11-5-3-4-6-13(11)17/h3-10H,1-2H3,(H,18,19,21)
InChIKeyCCDXFRSEVFLSTL-UHFFFAOYSA-N
XLogP4.91
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-propan-2-yl-N-(1,3-thiazol-5-ylmethylideneamino)thieno[2,3-d]pyrimidin-4-amine
CID 139987673
2-iodo-6-methoxy-4-[[(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 142269639
6-benzyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 10215659
6-ethyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 5332196
6-benzyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 10236989
6-benzyl-N-[(E)-3-methylbut-2-enylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 10286518
3-chloro-N-[(Z)-(2-chlorophenyl)methylideneamino]quinoxalin-2-amine
CID 6243010
N-[(2-chlorophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 4074619
3-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 3850152
2-[[4-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenyl]methyl]isoindole-1,3-dione
CID 139987704
2,4-dibromo-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3601514
2-[(E)-(quinazolin-4-ylhydrazinylidene)methyl]phenol
CID 135713775

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylideneamino]-6-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methylideneamino]-6-propan-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 139987696) is N-[(2-chlorophenyl)methylideneamino]-6-propan-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methylideneamino]-6-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methylideneamino]-6-propan-2-ylthieno[2,3-d]pyrimidin-4-amine is CC(C)c1cc2c(NN=Cc3ccccc3Cl)ncnc2s1.
What is the InChIKey of N-[(2-chlorophenyl)methylideneamino]-6-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CCDXFRSEVFLSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4S/c1-10(2)14-7-12-15(18-9-19-16(12)22-14)21-20-8-11-5-3-4-6-13(11)17/h3-10H,1-2H3,(H,18,19,21).
What are the key properties of N-[(2-chlorophenyl)methylideneamino]-6-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?
N-[(2-chlorophenyl)methylideneamino]-6-propan-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 330.84 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylideneamino]-6-propan-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 139987696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).