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

C13H20N4S — CID 62183378

IUPACN-ethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CN(C)C(C)C)nc2sccc12
InChIInChI=1S/C13H20N4S/c1-5-14-12-10-6-7-18-13(10)16-11(15-12)8-17(4)9(2)3/h6-7,9H,5,8H2,1-4H3,(H,14,15,16)
InChIKeyCGPJQABMEGEFNJ-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.96
Rot. Bonds5

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

N-ethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62183378) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-ethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62183378
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-ethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CN(C)C(C)C)nc2sccc12
InChIInChI=1S/C13H20N4S/c1-5-14-12-10-6-7-18-13(10)16-11(15-12)8-17(4)9(2)3/h6-7,9H,5,8H2,1-4H3,(H,14,15,16)
InChIKeyCGPJQABMEGEFNJ-UHFFFAOYSA-N
XLogP2.96
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178950
2-[propan-2-yl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol
CID 62207948
N-ethyl-2-(methoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194555
N-ethyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62184037
2-[(4-bromophenyl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 63486940
2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62208085
2-[[1-cyclopropylethyl(methyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62182231
N-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178577
2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62182738
2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 82953478
N-ethyl-5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183200
2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62208735

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 62183378) is N-ethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine is CCNc1nc(CN(C)C(C)C)nc2sccc12.
What is the InChIKey of N-ethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CGPJQABMEGEFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-5-14-12-10-6-7-18-13(10)16-11(15-12)8-17(4)9(2)3/h6-7,9H,5,8H2,1-4H3,(H,14,15,16).
What are the key properties of N-ethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
N-ethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 264.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62183378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).