(2R,3R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanamide

C14H20N4OS — CID 96996419

IUPAC(2R,3R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanamide
SMILESCCc1cc2c(N[C@@H](C(N)=O)[C@H](C)CC)ncnc2s1
InChIInChI=1S/C14H20N4OS/c1-4-8(3)11(12(15)19)18-13-10-6-9(5-2)20-14(10)17-7-16-13/h6-8,11H,4-5H2,1-3H3,(H2,15,19)(H,16,17,18)/t8-,11-/m1/s1
InChIKeyLSBVDXBAQLGKKR-LDYMZIIASA-N
MW292.41 g/mol
LogP2.57
Rot. Bonds6

About (2R,3R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanamide

(2R,3R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanamide (PubChem CID 96996419) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is (2R,3R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanamide.

Molecular Properties

Compound Name(2R,3R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanamide
PubChem CID96996419
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name(2R,3R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanamide
SMILESCCc1cc2c(N[C@@H](C(N)=O)[C@H](C)CC)ncnc2s1
InChIInChI=1S/C14H20N4OS/c1-4-8(3)11(12(15)19)18-13-10-6-9(5-2)20-14(10)17-7-16-13/h6-8,11H,4-5H2,1-3H3,(H2,15,19)(H,16,17,18)/t8-,11-/m1/s1
InChIKeyLSBVDXBAQLGKKR-LDYMZIIASA-N
XLogP2.57
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanamide with MolForge

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Related Compounds

methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 62005776
ethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
CID 133363399
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81078329
3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanamide
CID 133416677
2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylbutane-1,2-diamine
CID 65192081
N-(1-chlorobutan-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 65027345
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoic acid
CID 6487537
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 650309
1-cyclopropyl-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 65189090
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)acetamide
CID 39081674
ethyl 4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 1412737
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 6957125

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanamide?
The IUPAC name of (2R,3R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanamide (CID 96996419) is (2R,3R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanamide.
What is the SMILES notation for (2R,3R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanamide?
The canonical SMILES for (2R,3R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanamide is CCc1cc2c(N[C@@H](C(N)=O)[C@H](C)CC)ncnc2s1.
What is the InChIKey of (2R,3R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanamide?
The InChIKey is LSBVDXBAQLGKKR-LDYMZIIASA-N. The full InChI is InChI=1S/C14H20N4OS/c1-4-8(3)11(12(15)19)18-13-10-6-9(5-2)20-14(10)17-7-16-13/h6-8,11H,4-5H2,1-3H3,(H2,15,19)(H,16,17,18)/t8-,11-/m1/s1.
What are the key properties of (2R,3R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanamide?
(2R,3R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanamide has a molecular weight of 292.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanamide is sourced from PubChem (CID 96996419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).