2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine

C15H20N4S — CID 62207342

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CN2CC3CCC2C3)nc2sccc12
InChIInChI=1S/C15H20N4S/c1-2-16-14-12-5-6-20-15(12)18-13(17-14)9-19-8-10-3-4-11(19)7-10/h5-6,10-11H,2-4,7-9H2,1H3,(H,16,17,18)
InChIKeyDQFMJRBSUMTJAF-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.11
Rot. Bonds4

About 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine

2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62207342) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62207342
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CN2CC3CCC2C3)nc2sccc12
InChIInChI=1S/C15H20N4S/c1-2-16-14-12-5-6-20-15(12)18-13(17-14)9-19-8-10-3-4-11(19)7-10/h5-6,10-11H,2-4,7-9H2,1H3,(H,16,17,18)
InChIKeyDQFMJRBSUMTJAF-UHFFFAOYSA-N
XLogP3.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
CID 106673897
N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62184565
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol
CID 55131369
N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178585
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 104960510
N-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178577
2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62182349
4-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-3-methylpiperazin-2-one
CID 63606336
N-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62208153
2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62193818
N-ethyl-2-(1,4-thiazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62207945
N-ethyl-2-(methoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194555

Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine (CID 62207342) is 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine is CCNc1nc(CN2CC3CCC2C3)nc2sccc12.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DQFMJRBSUMTJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-2-16-14-12-5-6-20-15(12)18-13(17-14)9-19-8-10-3-4-11(19)7-10/h5-6,10-11H,2-4,7-9H2,1H3,(H,16,17,18).
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine?
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 288.42 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62207342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).