(1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-fluorophenyl)-N,N-dimethylethane-1,2-diamine

C18H21FN4S — CID 52680009

IUPAC(1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-fluorophenyl)-N,N-dimethylethane-1,2-diamine
SMILESCc1sc2ncnc(NC[C@@H](c3ccc(F)cc3)N(C)C)c2c1C
InChIInChI=1S/C18H21FN4S/c1-11-12(2)24-18-16(11)17(21-10-22-18)20-9-15(23(3)4)13-5-7-14(19)8-6-13/h5-8,10,15H,9H2,1-4H3,(H,20,21,22)/t15-/m0/s1
InChIKeyKMYZCCDHWXFYII-HNNXBMFYSA-N
MW344.46 g/mol
LogP4.16
Rot. Bonds5

About (1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-fluorophenyl)-N,N-dimethylethane-1,2-diamine

(1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-fluorophenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 52680009) has the molecular formula C18H21FN4S and a molecular weight of 344.46 g/mol. Its IUPAC name is (1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-fluorophenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-fluorophenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID52680009
Molecular FormulaC18H21FN4S
Molecular Weight344.46 g/mol
Exact Mass344.15
IUPAC Name(1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-fluorophenyl)-N,N-dimethylethane-1,2-diamine
SMILESCc1sc2ncnc(NC[C@@H](c3ccc(F)cc3)N(C)C)c2c1C
InChIInChI=1S/C18H21FN4S/c1-11-12(2)24-18-16(11)17(21-10-22-18)20-9-15(23(3)4)13-5-7-14(19)8-6-13/h5-8,10,15H,9H2,1-4H3,(H,20,21,22)/t15-/m0/s1
InChIKeyKMYZCCDHWXFYII-HNNXBMFYSA-N
XLogP4.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 2576474
(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 7999819
N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine
CID 113282648
N-(3-chloro-2-methylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 65037549
1-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4,4-dimethylpentane-1,2-diamine
CID 107159127
[(1S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 8017180
5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 731283
(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 719979
5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 835079
N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 15985074
1-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]propan-2-ol
CID 104594374
5,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 54897353

Frequently Asked Questions

What is the IUPAC name of (1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-fluorophenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of (1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-fluorophenyl)-N,N-dimethylethane-1,2-diamine (CID 52680009) is (1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-fluorophenyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for (1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-fluorophenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for (1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-fluorophenyl)-N,N-dimethylethane-1,2-diamine is Cc1sc2ncnc(NC[C@@H](c3ccc(F)cc3)N(C)C)c2c1C.
What is the InChIKey of (1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-fluorophenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is KMYZCCDHWXFYII-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21FN4S/c1-11-12(2)24-18-16(11)17(21-10-22-18)20-9-15(23(3)4)13-5-7-14(19)8-6-13/h5-8,10,15H,9H2,1-4H3,(H,20,21,22)/t15-/m0/s1.
What are the key properties of (1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-fluorophenyl)-N,N-dimethylethane-1,2-diamine?
(1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-fluorophenyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 344.46 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-fluorophenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 52680009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).