5-chloro-N-[5-[2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine

C16H20ClN5O — CID 141327905

IUPAC5-chloro-N-[5-[2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCC1(C)N[C@@H](CCc2ccc(Nc3ncc(Cl)cn3)nc2)CO1
InChIInChI=1S/C16H20ClN5O/c1-16(2)22-13(10-23-16)5-3-11-4-6-14(18-7-11)21-15-19-8-12(17)9-20-15/h4,6-9,13,22H,3,5,10H2,1-2H3,(H,18,19,20,21)/t13-/m0/s1
InChIKeyYPHDZLITLLGOCR-ZDUSSCGKSA-N
MW333.82 g/mol
LogP2.93
Rot. Bonds5

About 5-chloro-N-[5-[2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine

5-chloro-N-[5-[2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 141327905) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 5-chloro-N-[5-[2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[5-[2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID141327905
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name5-chloro-N-[5-[2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCC1(C)N[C@@H](CCc2ccc(Nc3ncc(Cl)cn3)nc2)CO1
InChIInChI=1S/C16H20ClN5O/c1-16(2)22-13(10-23-16)5-3-11-4-6-14(18-7-11)21-15-19-8-12(17)9-20-15/h4,6-9,13,22H,3,5,10H2,1-2H3,(H,18,19,20,21)/t13-/m0/s1
InChIKeyYPHDZLITLLGOCR-ZDUSSCGKSA-N
XLogP2.93
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-[2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[5-[2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine (CID 141327905) is 5-chloro-N-[5-[2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[5-[2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[5-[2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine is CC1(C)N[C@@H](CCc2ccc(Nc3ncc(Cl)cn3)nc2)CO1.
What is the InChIKey of 5-chloro-N-[5-[2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is YPHDZLITLLGOCR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-16(2)22-13(10-23-16)5-3-11-4-6-14(18-7-11)21-15-19-8-12(17)9-20-15/h4,6-9,13,22H,3,5,10H2,1-2H3,(H,18,19,20,21)/t13-/m0/s1.
What are the key properties of 5-chloro-N-[5-[2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine?
5-chloro-N-[5-[2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 333.82 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-[2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 141327905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).