2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide

C12H15N5OS — CID 103329768

IUPAC2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide
SMILESCC(Nc1nc(N)nc2sccc12)C(=O)NC1CC1
InChIInChI=1S/C12H15N5OS/c1-6(10(18)15-7-2-3-7)14-9-8-4-5-19-11(8)17-12(13)16-9/h4-7H,2-3H2,1H3,(H,15,18)(H3,13,14,16,17)
InChIKeyASPLVKUQXQRSAN-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.35
Rot. Bonds4

About 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide

2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide (PubChem CID 103329768) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide
PubChem CID103329768
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide
SMILESCC(Nc1nc(N)nc2sccc12)C(=O)NC1CC1
InChIInChI=1S/C12H15N5OS/c1-6(10(18)15-7-2-3-7)14-9-8-4-5-19-11(8)17-12(13)16-9/h4-7H,2-3H2,1H3,(H,15,18)(H3,13,14,16,17)
InChIKeyASPLVKUQXQRSAN-UHFFFAOYSA-N
XLogP1.35
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 103322396
2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103325001
4-N-[1-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330589
4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328271
4-N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324894
4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324290
5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 114148662
N-cyclopropyl-2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 137341667
3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 106163052
4-N-[1-(3-fluoro-4-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329097
(2R)-N-cyclopropyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 7889375
[2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103328665

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide?
The IUPAC name of 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide (CID 103329768) is 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide is CC(Nc1nc(N)nc2sccc12)C(=O)NC1CC1.
What is the InChIKey of 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide?
The InChIKey is ASPLVKUQXQRSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-6(10(18)15-7-2-3-7)14-9-8-4-5-19-11(8)17-12(13)16-9/h4-7H,2-3H2,1H3,(H,15,18)(H3,13,14,16,17).
What are the key properties of 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide?
2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide has a molecular weight of 277.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 103329768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).