4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazine-2,6-dione

C11H11ClN4O2 — CID 80951742

IUPAC4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazine-2,6-dione
SMILESO=C1CN(c2cc(Cl)nc(C3CC3)n2)CC(=O)N1
InChIInChI=1S/C11H11ClN4O2/c12-7-3-8(14-11(13-7)6-1-2-6)16-4-9(17)15-10(18)5-16/h3,6H,1-2,4-5H2,(H,15,17,18)
InChIKeyLOPQABQFCDTGQP-UHFFFAOYSA-N
MW266.69 g/mol
LogP0.47
Rot. Bonds2

About 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazine-2,6-dione

4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazine-2,6-dione (PubChem CID 80951742) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazine-2,6-dione
PubChem CID80951742
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazine-2,6-dione
SMILESO=C1CN(c2cc(Cl)nc(C3CC3)n2)CC(=O)N1
InChIInChI=1S/C11H11ClN4O2/c12-7-3-8(14-11(13-7)6-1-2-6)16-4-9(17)15-10(18)5-16/h3,6H,1-2,4-5H2,(H,15,17,18)
InChIKeyLOPQABQFCDTGQP-UHFFFAOYSA-N
XLogP0.47
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione
CID 66063784
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine
CID 80948108
4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 121200880
4-chloro-2-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 80950703
3-(6-chloro-2-cyclopropylpyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 80947338
4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine
CID 129380887
4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine
CID 103536578
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine
CID 80949359
2-(6-chloro-2-cyclopropylpyrimidin-4-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81108646
3-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 133431793
N-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethanesulfonamide
CID 133418654
5-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 133432444

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazine-2,6-dione?
The IUPAC name of 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazine-2,6-dione (CID 80951742) is 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazine-2,6-dione.
What is the SMILES notation for 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazine-2,6-dione?
The canonical SMILES for 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazine-2,6-dione is O=C1CN(c2cc(Cl)nc(C3CC3)n2)CC(=O)N1.
What is the InChIKey of 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazine-2,6-dione?
The InChIKey is LOPQABQFCDTGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c12-7-3-8(14-11(13-7)6-1-2-6)16-4-9(17)15-10(18)5-16/h3,6H,1-2,4-5H2,(H,15,17,18).
What are the key properties of 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazine-2,6-dione?
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazine-2,6-dione has a molecular weight of 266.69 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazine-2,6-dione is sourced from PubChem (CID 80951742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).