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

C14H20N4S — CID 115308929

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCC1CCCCC1(CN)Nc1ncnc2ccsc12
InChIInChI=1S/C14H20N4S/c1-10-4-2-3-6-14(10,8-15)18-13-12-11(5-7-19-12)16-9-17-13/h5,7,9-10H,2-4,6,8,15H2,1H3,(H,16,17,18)
InChIKeyIBHZZWCHYUYVMW-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.01
Rot. Bonds3

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

N-[1-(aminomethyl)-2-methylcyclohexyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 115308929) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID115308929
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCC1CCCCC1(CN)Nc1ncnc2ccsc12
InChIInChI=1S/C14H20N4S/c1-10-4-2-3-6-14(10,8-15)18-13-12-11(5-7-19-12)16-9-17-13/h5,7,9-10H,2-4,6,8,15H2,1H3,(H,16,17,18)
InChIKeyIBHZZWCHYUYVMW-UHFFFAOYSA-N
XLogP3.01
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-methyl-1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclohexyl]methanol
CID 62525512
N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 115309025
N-[[1-(aminomethyl)cyclohexyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 103970460
N-[1-(chloromethyl)cyclohexyl]thieno[3,2-d]pyrimidin-4-amine
CID 65028701
N-[(1-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 114095045
methyl 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-3-carboxylate
CID 115309040
N-[1-(aminomethyl)-2-methylcyclohexyl]quinoxalin-2-amine
CID 115309074
2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine
CID 61037130
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-chloropyrimidin-2-amine
CID 115308914
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-nitropyridin-2-amine
CID 115308946
N-[1-(aminomethyl)-2-methylcyclohexyl]pyrido[2,3-b]pyrazin-6-amine
CID 115308959
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methyl-3-nitropyridin-2-amine
CID 115309017

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]thieno[3,2-d]pyrimidin-4-amine (CID 115308929) is N-[1-(aminomethyl)-2-methylcyclohexyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]thieno[3,2-d]pyrimidin-4-amine is CC1CCCCC1(CN)Nc1ncnc2ccsc12.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is IBHZZWCHYUYVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-10-4-2-3-6-14(10,8-15)18-13-12-11(5-7-19-12)16-9-17-13/h5,7,9-10H,2-4,6,8,15H2,1H3,(H,16,17,18).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]thieno[3,2-d]pyrimidin-4-amine?
N-[1-(aminomethyl)-2-methylcyclohexyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 276.41 g/mol, XLogP of 3.01, 3 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]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 115308929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).