N-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C14H19N3S — CID 712429

IUPACN-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NC3CCCCC3)c2c1C
InChIInChI=1S/C14H19N3S/c1-9-10(2)18-14-12(9)13(15-8-16-14)17-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyIHKJIEUYYRGHSK-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.05
Rot. Bonds2

About N-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 712429) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID712429
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NC3CCCCC3)c2c1C
InChIInChI=1S/C14H19N3S/c1-9-10(2)18-14-12(9)13(15-8-16-14)17-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyIHKJIEUYYRGHSK-UHFFFAOYSA-N
XLogP4.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 712429) is N-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(NC3CCCCC3)c2c1C.
What is the InChIKey of N-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IHKJIEUYYRGHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-9-10(2)18-14-12(9)13(15-8-16-14)17-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of N-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 261.39 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 712429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).