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

C14H20N4S — CID 103970460

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESNCC1(CNc2ncnc3ccsc23)CCCCC1
InChIInChI=1S/C14H20N4S/c15-8-14(5-2-1-3-6-14)9-16-13-12-11(4-7-19-12)17-10-18-13/h4,7,10H,1-3,5-6,8-9,15H2,(H,16,17,18)
InChIKeyBMXXDSSFRSZLEJ-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.01
Rot. Bonds4

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

N-[[1-(aminomethyl)cyclohexyl]methyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 103970460) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID103970460
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESNCC1(CNc2ncnc3ccsc23)CCCCC1
InChIInChI=1S/C14H20N4S/c15-8-14(5-2-1-3-6-14)9-16-13-12-11(4-7-19-12)17-10-18-13/h4,7,10H,1-3,5-6,8-9,15H2,(H,16,17,18)
InChIKeyBMXXDSSFRSZLEJ-UHFFFAOYSA-N
XLogP3.01
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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

N-[(1-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 114095045
1-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutane-1-sulfonamide
CID 154779770
N-[1-(chloromethyl)cyclohexyl]thieno[3,2-d]pyrimidin-4-amine
CID 65028701
N-[[1-(aminomethyl)cyclohexyl]methyl]-1,3-thiazol-2-amine
CID 103970472
2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol
CID 58265115
N-[1-(aminomethyl)-2-methylcyclohexyl]thieno[3,2-d]pyrimidin-4-amine
CID 115308929
N'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663575
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 103970405
N-[[1-(aminomethyl)cyclohexyl]methyl]pyridin-2-amine
CID 103970402
N-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine
CID 103970418
N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 43236117
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-methylquinoxalin-2-amine
CID 103970448

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]thieno[3,2-d]pyrimidin-4-amine (CID 103970460) is N-[[1-(aminomethyl)cyclohexyl]methyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]thieno[3,2-d]pyrimidin-4-amine is NCC1(CNc2ncnc3ccsc23)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is BMXXDSSFRSZLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c15-8-14(5-2-1-3-6-14)9-16-13-12-11(4-7-19-12)17-10-18-13/h4,7,10H,1-3,5-6,8-9,15H2,(H,16,17,18).
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
N-[[1-(aminomethyl)cyclohexyl]methyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 276.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 103970460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).