N-[(2-chlorophenyl)methyl]-2-[[(2-chlorophenyl)methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C23H22Cl2N4S — CID 2125559

IUPACN-[(2-chlorophenyl)methyl]-2-[[(2-chlorophenyl)methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CNCc3ccccc3Cl)nc(NCc3ccccc3Cl)c2c1C
InChIInChI=1S/C23H22Cl2N4S/c1-14-15(2)30-23-21(14)22(27-12-17-8-4-6-10-19(17)25)28-20(29-23)13-26-11-16-7-3-5-9-18(16)24/h3-10,26H,11-13H2,1-2H3,(H,27,28,29)
InChIKeyNHLYKXOMEHZGKM-UHFFFAOYSA-N
MW457.43 g/mol
LogP6.52
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-[[(2-chlorophenyl)methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-[(2-chlorophenyl)methyl]-2-[[(2-chlorophenyl)methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 2125559) has the molecular formula C23H22Cl2N4S and a molecular weight of 457.43 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[[(2-chlorophenyl)methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[[(2-chlorophenyl)methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID2125559
Molecular FormulaC23H22Cl2N4S
Molecular Weight457.43 g/mol
Exact Mass456.09
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[[(2-chlorophenyl)methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CNCc3ccccc3Cl)nc(NCc3ccccc3Cl)c2c1C
InChIInChI=1S/C23H22Cl2N4S/c1-14-15(2)30-23-21(14)22(27-12-17-8-4-6-10-19(17)25)28-20(29-23)13-26-11-16-7-3-5-9-18(16)24/h3-10,26H,11-13H2,1-2H3,(H,27,28,29)
InChIKeyNHLYKXOMEHZGKM-UHFFFAOYSA-N
XLogP6.52
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.43
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2-chlorophenyl)methyl]-2-[[(2-chlorophenyl)methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 82066631
methyl 4-[(2-chlorophenyl)methylamino]-2-[[(2-chlorophenyl)methylamino]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 2090073
N-(furan-2-ylmethyl)-2-[(furan-2-ylmethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 2371805
N-(2-chlorophenyl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965399
N-[(2-methoxyphenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 9283471
methyl 2-[4-(benzylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]acetate
CID 4549818
5,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133495578
(4-chlorophenyl)methyl-[[4-[(4-chlorophenyl)methylamino]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium
CID 2125578
10-benzyl-N-[(2-chlorophenyl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 91965954
2-benzyl-5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964664
2-benzyl-N-[(4-methoxyphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964672
6-chloro-N-[(2-chlorophenyl)methyl]-2,5-dimethylpyrimidin-4-amine
CID 63727891

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[[(2-chlorophenyl)methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[[(2-chlorophenyl)methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 2125559) is N-[(2-chlorophenyl)methyl]-2-[[(2-chlorophenyl)methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[[(2-chlorophenyl)methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[[(2-chlorophenyl)methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(CNCc3ccccc3Cl)nc(NCc3ccccc3Cl)c2c1C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[[(2-chlorophenyl)methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NHLYKXOMEHZGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4S/c1-14-15(2)30-23-21(14)22(27-12-17-8-4-6-10-19(17)25)28-20(29-23)13-26-11-16-7-3-5-9-18(16)24/h3-10,26H,11-13H2,1-2H3,(H,27,28,29).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[[(2-chlorophenyl)methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-[(2-chlorophenyl)methyl]-2-[[(2-chlorophenyl)methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 457.43 g/mol, XLogP of 6.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[[(2-chlorophenyl)methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2125559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).