tert-butyl N-[(2R)-1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-2-yl]carbamate

C14H18ClN3O2S — CID 167364110

IUPACtert-butyl N-[(2R)-1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-2-yl]carbamate
SMILESC[C@H](Cc1cc2ncnc(Cl)c2s1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H18ClN3O2S/c1-8(18-13(19)20-14(2,3)4)5-9-6-10-11(21-9)12(15)17-7-16-10/h6-8H,5H2,1-4H3,(H,18,19)/t8-/m1/s1
InChIKeyQNYCXWWZBLQOJQ-MRVPVSSYSA-N
MW327.84 g/mol
LogP3.80
Rot. Bonds3

About tert-butyl N-[(2R)-1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-2-yl]carbamate

tert-butyl N-[(2R)-1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-2-yl]carbamate (PubChem CID 167364110) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-2-yl]carbamate
PubChem CID167364110
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Nametert-butyl N-[(2R)-1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-2-yl]carbamate
SMILESC[C@H](Cc1cc2ncnc(Cl)c2s1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H18ClN3O2S/c1-8(18-13(19)20-14(2,3)4)5-9-6-10-11(21-9)12(15)17-7-16-10/h6-8H,5H2,1-4H3,(H,18,19)/t8-/m1/s1
InChIKeyQNYCXWWZBLQOJQ-MRVPVSSYSA-N
XLogP3.80
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2R)-1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-2-yl]carbamate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-2-yl]carbamate (CID 167364110) is tert-butyl N-[(2R)-1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-2-yl]carbamate is C[C@H](Cc1cc2ncnc(Cl)c2s1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-2-yl]carbamate?
The InChIKey is QNYCXWWZBLQOJQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c1-8(18-13(19)20-14(2,3)4)5-9-6-10-11(21-9)12(15)17-7-16-10/h6-8H,5H2,1-4H3,(H,18,19)/t8-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-2-yl]carbamate has a molecular weight of 327.84 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-2-yl]carbamate is sourced from PubChem (CID 167364110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).