4-chloro-6-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyrimidin-2-amine

C12H16ClN7O — CID 60503705

IUPAC4-chloro-6-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCc1noc(CN2CCN(c3cc(Cl)nc(N)n3)CC2)n1
InChIInChI=1S/C12H16ClN7O/c1-8-15-11(21-18-8)7-19-2-4-20(5-3-19)10-6-9(13)16-12(14)17-10/h6H,2-5,7H2,1H3,(H2,14,16,17)
InChIKeyQLLJLYDYEHCKGG-UHFFFAOYSA-N
MW309.76 g/mol
LogP0.73
Rot. Bonds3

About 4-chloro-6-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyrimidin-2-amine

4-chloro-6-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 60503705) has the molecular formula C12H16ClN7O and a molecular weight of 309.76 g/mol. Its IUPAC name is 4-chloro-6-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID60503705
Molecular FormulaC12H16ClN7O
Molecular Weight309.76 g/mol
Exact Mass309.11
IUPAC Name4-chloro-6-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCc1noc(CN2CCN(c3cc(Cl)nc(N)n3)CC2)n1
InChIInChI=1S/C12H16ClN7O/c1-8-15-11(21-18-8)7-19-2-4-20(5-3-19)10-6-9(13)16-12(14)17-10/h6H,2-5,7H2,1H3,(H2,14,16,17)
InChIKeyQLLJLYDYEHCKGG-UHFFFAOYSA-N
XLogP0.73
TPSA97.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-chloro-6-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 171323647
4-[[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]methyl]benzonitrile
CID 31537774
3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 18168055
4-chloro-6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 133272930
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol
CID 32825591
3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 51075925
2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide
CID 47159148
4-chloro-6-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyrimidin-2-amine
CID 55570137
ethyl 4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate
CID 1481937
5-[[4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 75380996
4-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-2-amine
CID 133335948
4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 52569216

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyrimidin-2-amine (CID 60503705) is 4-chloro-6-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyrimidin-2-amine is Cc1noc(CN2CCN(c3cc(Cl)nc(N)n3)CC2)n1.
What is the InChIKey of 4-chloro-6-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is QLLJLYDYEHCKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN7O/c1-8-15-11(21-18-8)7-19-2-4-20(5-3-19)10-6-9(13)16-12(14)17-10/h6H,2-5,7H2,1H3,(H2,14,16,17).
What are the key properties of 4-chloro-6-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyrimidin-2-amine?
4-chloro-6-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 309.76 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 60503705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).