2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine

C14H16ClN5S — CID 103322354

IUPAC2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nn(C)cc1CNc1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C14H16ClN5S/c1-4-11-9(7-20(3)19-11)6-16-12-10-5-8(2)21-13(10)18-14(15)17-12/h5,7H,4,6H2,1-3H3,(H,16,17,18)
InChIKeySKVCAJGDKNLQNK-UHFFFAOYSA-N
MW321.84 g/mol
LogP3.56
Rot. Bonds4

About 2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine

2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103322354) has the molecular formula C14H16ClN5S and a molecular weight of 321.84 g/mol. Its IUPAC name is 2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103322354
Molecular FormulaC14H16ClN5S
Molecular Weight321.84 g/mol
Exact Mass321.08
IUPAC Name2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nn(C)cc1CNc1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C14H16ClN5S/c1-4-11-9(7-20(3)19-11)6-16-12-10-5-8(2)21-13(10)18-14(15)17-12/h5,7H,4,6H2,1-3H3,(H,16,17,18)
InChIKeySKVCAJGDKNLQNK-UHFFFAOYSA-N
XLogP3.56
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.84
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 114156486
2-chloro-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106106124
6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine
CID 112549981
N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 103321513
2-chloro-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066295
2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321095
2-chloro-6-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321679
2-chloro-N-(2-chloroprop-2-enyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106195492
4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyrimidine-2,4-diamine
CID 112672208
N-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320817
2-chloro-6-ethyl-N-[(4-methylthiophen-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103322136
2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562843

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 103322354) is 2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine is CCc1nn(C)cc1CNc1nc(Cl)nc2sc(C)cc12.
What is the InChIKey of 2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SKVCAJGDKNLQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5S/c1-4-11-9(7-20(3)19-11)6-16-12-10-5-8(2)21-13(10)18-14(15)17-12/h5,7H,4,6H2,1-3H3,(H,16,17,18).
What are the key properties of 2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 321.84 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103322354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).