1-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol

C13H18ClN3O2S — CID 103321162

IUPAC1-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
SMILESCCc1cc2c(N(C)CC(O)COC)nc(Cl)nc2s1
InChIInChI=1S/C13H18ClN3O2S/c1-4-9-5-10-11(15-13(14)16-12(10)20-9)17(2)6-8(18)7-19-3/h5,8,18H,4,6-7H2,1-3H3
InChIKeyPCRGYNKSSMGSES-UHFFFAOYSA-N
MW315.83 g/mol
LogP2.35
Rot. Bonds6

About 1-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol

1-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol (PubChem CID 103321162) has the molecular formula C13H18ClN3O2S and a molecular weight of 315.83 g/mol. Its IUPAC name is 1-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
PubChem CID103321162
Molecular FormulaC13H18ClN3O2S
Molecular Weight315.83 g/mol
Exact Mass315.08
IUPAC Name1-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
SMILESCCc1cc2c(N(C)CC(O)COC)nc(Cl)nc2s1
InChIInChI=1S/C13H18ClN3O2S/c1-4-9-5-10-11(15-13(14)16-12(10)20-9)17(2)6-8(18)7-19-3/h5,8,18H,4,6-7H2,1-3H3
InChIKeyPCRGYNKSSMGSES-UHFFFAOYSA-N
XLogP2.35
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol with MolForge

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Related Compounds

2-chloro-N-cyclopropyl-6-ethyl-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320932
N'-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 103321374
2-chloro-6-ethyl-N,N-bis(trideuteriomethyl)thieno[2,3-d]pyrimidin-4-amine
CID 169436107
2-chloro-6-ethyl-N-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321377
2-chloro-6-ethyl-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320635
2-chloro-6-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321245
2-chloro-6-ethyl-N-methyl-N-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321396
N-(2,2-difluoroethyl)-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103335769
2-chloro-6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidine
CID 103319793
1-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 103326416
1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 80810389
1-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 80711299

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol (CID 103321162) is 1-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol is CCc1cc2c(N(C)CC(O)COC)nc(Cl)nc2s1.
What is the InChIKey of 1-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol?
The InChIKey is PCRGYNKSSMGSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2S/c1-4-9-5-10-11(15-13(14)16-12(10)20-9)17(2)6-8(18)7-19-3/h5,8,18H,4,6-7H2,1-3H3.
What are the key properties of 1-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol?
1-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol has a molecular weight of 315.83 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 103321162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).