2-[[(4-ethylcyclohexyl)-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine

C16H24N4S — CID 62208278

IUPAC2-[[(4-ethylcyclohexyl)-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCC1CCC(N(C)Cc2nc(N)c3ccsc3n2)CC1
InChIInChI=1S/C16H24N4S/c1-3-11-4-6-12(7-5-11)20(2)10-14-18-15(17)13-8-9-21-16(13)19-14/h8-9,11-12H,3-7,10H2,1-2H3,(H2,17,18,19)
InChIKeyNSPZHPIKFGGOCP-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.67
Rot. Bonds4

About 2-[[(4-ethylcyclohexyl)-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine

2-[[(4-ethylcyclohexyl)-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62208278) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-[[(4-ethylcyclohexyl)-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[(4-ethylcyclohexyl)-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62208278
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name2-[[(4-ethylcyclohexyl)-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCC1CCC(N(C)Cc2nc(N)c3ccsc3n2)CC1
InChIInChI=1S/C16H24N4S/c1-3-11-4-6-12(7-5-11)20(2)10-14-18-15(17)13-8-9-21-16(13)19-14/h8-9,11-12H,3-7,10H2,1-2H3,(H2,17,18,19)
InChIKeyNSPZHPIKFGGOCP-UHFFFAOYSA-N
XLogP3.67
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62208113
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63236440
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcyclopentanamine
CID 62189688
2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183072
N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcycloheptanamine
CID 62244736
2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62177002
1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol
CID 62336603
N'-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102996867
N-(4-ethylcyclohexyl)-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103332677
2-(2-cyclopropylethoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 114157912
3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanenitrile
CID 55046681
2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62184253

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethylcyclohexyl)-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[[(4-ethylcyclohexyl)-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 62208278) is 2-[[(4-ethylcyclohexyl)-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[(4-ethylcyclohexyl)-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[(4-ethylcyclohexyl)-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine is CCC1CCC(N(C)Cc2nc(N)c3ccsc3n2)CC1.
What is the InChIKey of 2-[[(4-ethylcyclohexyl)-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NSPZHPIKFGGOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-3-11-4-6-12(7-5-11)20(2)10-14-18-15(17)13-8-9-21-16(13)19-14/h8-9,11-12H,3-7,10H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-[[(4-ethylcyclohexyl)-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine?
2-[[(4-ethylcyclohexyl)-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 304.46 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethylcyclohexyl)-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62208278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).