N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine

C16H24N4S — CID 115309025

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC3(CN)CCCCC3C)ncnc2s1
InChIInChI=1S/C16H24N4S/c1-3-12-8-13-14(18-10-19-15(13)21-12)20-16(9-17)7-5-4-6-11(16)2/h8,10-11H,3-7,9,17H2,1-2H3,(H,18,19,20)
InChIKeyBBLPXNMYZANRHK-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.57
Rot. Bonds4

About N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine

N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 115309025) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID115309025
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC3(CN)CCCCC3C)ncnc2s1
InChIInChI=1S/C16H24N4S/c1-3-12-8-13-14(18-10-19-15(13)21-12)20-16(9-17)7-5-4-6-11(16)2/h8,10-11H,3-7,9,17H2,1-2H3,(H,18,19,20)
InChIKeyBBLPXNMYZANRHK-UHFFFAOYSA-N
XLogP3.57
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine (CID 115309025) is N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NC3(CN)CCCCC3C)ncnc2s1.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BBLPXNMYZANRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-3-12-8-13-14(18-10-19-15(13)21-12)20-16(9-17)7-5-4-6-11(16)2/h8,10-11H,3-7,9,17H2,1-2H3,(H,18,19,20).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 304.46 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 115309025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).