N-(1-chlorobutan-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine

C12H16ClN3S — CID 65027345

IUPACN-(1-chlorobutan-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC(CC)CCl)ncnc2s1
InChIInChI=1S/C12H16ClN3S/c1-3-8(6-13)16-11-10-5-9(4-2)17-12(10)15-7-14-11/h5,7-8H,3-4,6H2,1-2H3,(H,14,15,16)
InChIKeyHXZVXSRDTIEVNS-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.68
Rot. Bonds5

About N-(1-chlorobutan-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine

N-(1-chlorobutan-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 65027345) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is N-(1-chlorobutan-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-chlorobutan-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID65027345
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC NameN-(1-chlorobutan-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC(CC)CCl)ncnc2s1
InChIInChI=1S/C12H16ClN3S/c1-3-8(6-13)16-11-10-5-9(4-2)17-12(10)15-7-14-11/h5,7-8H,3-4,6H2,1-2H3,(H,14,15,16)
InChIKeyHXZVXSRDTIEVNS-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylbutane-1,2-diamine
CID 65192081
(2R,3R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanamide
CID 96996419
N-[1-chloro-2-(chloromethyl)butan-2-yl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 114010801
(2S)-2-[(6-iodothieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
CID 125421599
N-(1-chloro-4-methylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 65029549
methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 62005776
N-(3-chlorobutyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 65028734
1-cyclopropyl-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 65189090
6-ethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 133355761
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81078329
ethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
CID 133363399
6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 133386426

Frequently Asked Questions

What is the IUPAC name of N-(1-chlorobutan-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1-chlorobutan-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine (CID 65027345) is N-(1-chlorobutan-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-chlorobutan-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-chlorobutan-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NC(CC)CCl)ncnc2s1.
What is the InChIKey of N-(1-chlorobutan-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HXZVXSRDTIEVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3S/c1-3-8(6-13)16-11-10-5-9(4-2)17-12(10)15-7-14-11/h5,7-8H,3-4,6H2,1-2H3,(H,14,15,16).
What are the key properties of N-(1-chlorobutan-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
N-(1-chlorobutan-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 269.80 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chlorobutan-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 65027345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).