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

C14H19N3S — CID 114095045

IUPACN-[(1-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCC1(CNc2ncnc3ccsc23)CCCCC1
InChIInChI=1S/C14H19N3S/c1-14(6-3-2-4-7-14)9-15-13-12-11(5-8-18-12)16-10-17-13/h5,8,10H,2-4,6-7,9H2,1H3,(H,15,16,17)
InChIKeySPXGEIMBFCNNPC-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.07
Rot. Bonds3

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

N-[(1-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 114095045) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(1-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID114095045
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[(1-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCC1(CNc2ncnc3ccsc23)CCCCC1
InChIInChI=1S/C14H19N3S/c1-14(6-3-2-4-7-14)9-15-13-12-11(5-8-18-12)16-10-17-13/h5,8,10H,2-4,6-7,9H2,1H3,(H,15,16,17)
InChIKeySPXGEIMBFCNNPC-UHFFFAOYSA-N
XLogP4.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 103970460
1-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutane-1-sulfonamide
CID 154779770
N-[(1-methylcyclopentyl)methyl]quinazolin-4-amine
CID 55261394
N-[1-(chloromethyl)cyclohexyl]thieno[3,2-d]pyrimidin-4-amine
CID 65028701
2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol
CID 58265115
N'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663575
N-[(1-methylcyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine
CID 55261967
6-N,5-dimethyl-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 80846461
N'-cyclohexyl-N'-methyl-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,3-diamine
CID 51890557
3-methyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol
CID 66108387
6-chloro-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 63831983
N-[1-(aminomethyl)-2-methylcyclohexyl]thieno[3,2-d]pyrimidin-4-amine
CID 115308929

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(1-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine (CID 114095045) is N-[(1-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine is CC1(CNc2ncnc3ccsc23)CCCCC1.
What is the InChIKey of N-[(1-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is SPXGEIMBFCNNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-14(6-3-2-4-7-14)9-15-13-12-11(5-8-18-12)16-10-17-13/h5,8,10H,2-4,6-7,9H2,1H3,(H,15,16,17).
What are the key properties of N-[(1-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
N-[(1-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 261.39 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 114095045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).