2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine

C9H10ClN5O — CID 103761485

IUPAC2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCc1noc(CCNc2ccnc(Cl)n2)n1
InChIInChI=1S/C9H10ClN5O/c1-6-13-8(16-15-6)3-5-11-7-2-4-12-9(10)14-7/h2,4H,3,5H2,1H3,(H,11,12,14)
InChIKeyDRZWEHPHSUXBKG-UHFFFAOYSA-N
MW239.67 g/mol
LogP1.48
Rot. Bonds4

About 2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine

2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 103761485) has the molecular formula C9H10ClN5O and a molecular weight of 239.67 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID103761485
Molecular FormulaC9H10ClN5O
Molecular Weight239.67 g/mol
Exact Mass239.06
IUPAC Name2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCc1noc(CCNc2ccnc(Cl)n2)n1
InChIInChI=1S/C9H10ClN5O/c1-6-13-8(16-15-6)3-5-11-7-2-4-12-9(10)14-7/h2,4H,3,5H2,1H3,(H,11,12,14)
InChIKeyDRZWEHPHSUXBKG-UHFFFAOYSA-N
XLogP1.48
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 103761486
6-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 114186385
3-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carbonitrile
CID 106417648
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 62784912
6-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 114186380
6-chloro-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 106421609
2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 106424446
2-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
CID 80688951
1-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-c]pyridin-4-amine
CID 106418805
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 103880029
5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylic acid
CID 114186390
5-chloro-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 75377092

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine (CID 103761485) is 2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine is Cc1noc(CCNc2ccnc(Cl)n2)n1.
What is the InChIKey of 2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is DRZWEHPHSUXBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O/c1-6-13-8(16-15-6)3-5-11-7-2-4-12-9(10)14-7/h2,4H,3,5H2,1H3,(H,11,12,14).
What are the key properties of 2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 239.67 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 103761485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).