ethane;4-N-ethyl-4-N,6-dimethylthieno[2,3-d]pyrimidine-4,5-diamine;methyl formate

C14H24N4O2S — CID 143487927

IUPACethane;4-N-ethyl-4-N,6-dimethylthieno[2,3-d]pyrimidine-4,5-diamine;methyl formate
SMILESCC.CCN(C)c1ncnc2sc(C)c(N)c12.COC=O
InChIInChI=1S/C10H14N4S.C2H4O2.C2H6/c1-4-14(3)9-7-8(11)6(2)15-10(7)13-5-12-9;1-4-2-3;1-2/h5H,4,11H2,1-3H3;2H,1H3;1-2H3
InChIKeyNZWPHDPACYQAEV-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.85
Rot. Bonds3

About ethane;4-N-ethyl-4-N,6-dimethylthieno[2,3-d]pyrimidine-4,5-diamine;methyl formate

ethane;4-N-ethyl-4-N,6-dimethylthieno[2,3-d]pyrimidine-4,5-diamine;methyl formate (PubChem CID 143487927) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is ethane;4-N-ethyl-4-N,6-dimethylthieno[2,3-d]pyrimidine-4,5-diamine;methyl formate.

Molecular Properties

Compound Nameethane;4-N-ethyl-4-N,6-dimethylthieno[2,3-d]pyrimidine-4,5-diamine;methyl formate
PubChem CID143487927
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Nameethane;4-N-ethyl-4-N,6-dimethylthieno[2,3-d]pyrimidine-4,5-diamine;methyl formate
SMILESCC.CCN(C)c1ncnc2sc(C)c(N)c12.COC=O
InChIInChI=1S/C10H14N4S.C2H4O2.C2H6/c1-4-14(3)9-7-8(11)6(2)15-10(7)13-5-12-9;1-4-2-3;1-2/h5H,4,11H2,1-3H3;2H,1H3;1-2H3
InChIKeyNZWPHDPACYQAEV-UHFFFAOYSA-N
XLogP2.85
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propanoate
CID 62006529
methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]butanoate
CID 62004622
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanesulfonamide
CID 138030516
N-ethyl-N,5-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 119083625
N-[(2-aminophenyl)methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 60869060
N-(2-chloropropyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 63392466
N-(1-bromopropan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 104555275
N,N,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 146120860
1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 78962197
4-N-ethyl-4-N-methyl-6-propan-2-ylpyrimidine-4,5-diamine
CID 153348961
4-(diethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 4547744
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]acetic acid
CID 61006901

Frequently Asked Questions

What is the IUPAC name of ethane;4-N-ethyl-4-N,6-dimethylthieno[2,3-d]pyrimidine-4,5-diamine;methyl formate?
The IUPAC name of ethane;4-N-ethyl-4-N,6-dimethylthieno[2,3-d]pyrimidine-4,5-diamine;methyl formate (CID 143487927) is ethane;4-N-ethyl-4-N,6-dimethylthieno[2,3-d]pyrimidine-4,5-diamine;methyl formate.
What is the SMILES notation for ethane;4-N-ethyl-4-N,6-dimethylthieno[2,3-d]pyrimidine-4,5-diamine;methyl formate?
The canonical SMILES for ethane;4-N-ethyl-4-N,6-dimethylthieno[2,3-d]pyrimidine-4,5-diamine;methyl formate is CC.CCN(C)c1ncnc2sc(C)c(N)c12.COC=O.
What is the InChIKey of ethane;4-N-ethyl-4-N,6-dimethylthieno[2,3-d]pyrimidine-4,5-diamine;methyl formate?
The InChIKey is NZWPHDPACYQAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S.C2H4O2.C2H6/c1-4-14(3)9-7-8(11)6(2)15-10(7)13-5-12-9;1-4-2-3;1-2/h5H,4,11H2,1-3H3;2H,1H3;1-2H3.
What are the key properties of ethane;4-N-ethyl-4-N,6-dimethylthieno[2,3-d]pyrimidine-4,5-diamine;methyl formate?
ethane;4-N-ethyl-4-N,6-dimethylthieno[2,3-d]pyrimidine-4,5-diamine;methyl formate has a molecular weight of 312.44 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-N-ethyl-4-N,6-dimethylthieno[2,3-d]pyrimidine-4,5-diamine;methyl formate is sourced from PubChem (CID 143487927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).