2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine

C12H18N4S — CID 62183072

IUPAC2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCN(Cc1nc(N)c2ccsc2n1)C(C)C
InChIInChI=1S/C12H18N4S/c1-4-16(8(2)3)7-10-14-11(13)9-5-6-17-12(9)15-10/h5-6,8H,4,7H2,1-3H3,(H2,13,14,15)
InChIKeyLGGJTLGXDMYQPE-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.50
Rot. Bonds4

About 2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine

2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62183072) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62183072
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCN(Cc1nc(N)c2ccsc2n1)C(C)C
InChIInChI=1S/C12H18N4S/c1-4-16(8(2)3)7-10-14-11(13)9-5-6-17-12(9)15-10/h5-6,8H,4,7H2,1-3H3,(H2,13,14,15)
InChIKeyLGGJTLGXDMYQPE-UHFFFAOYSA-N
XLogP2.50
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol
CID 62336603
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62209146
N'-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102996867
2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62177002
2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62184253
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 62187944
2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62208958
2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetamide
CID 62182664
3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanenitrile
CID 55046681
2-[[(4-ethylcyclohexyl)-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62208278
2-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl-propan-2-ylamino]acetamide
CID 62187940
2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 55086666

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 62183072) is 2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine is CCN(Cc1nc(N)c2ccsc2n1)C(C)C.
What is the InChIKey of 2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LGGJTLGXDMYQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-4-16(8(2)3)7-10-14-11(13)9-5-6-17-12(9)15-10/h5-6,8H,4,7H2,1-3H3,(H2,13,14,15).
What are the key properties of 2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 250.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62183072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).