2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide

C11H17ClN6O — CID 47159148

IUPAC2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(c2cc(Cl)nc(N)n2)CC1
InChIInChI=1S/C11H17ClN6O/c1-14-10(19)7-17-2-4-18(5-3-17)9-6-8(12)15-11(13)16-9/h6H,2-5,7H2,1H3,(H,14,19)(H2,13,15,16)
InChIKeyBJUIQXMFERGWNM-UHFFFAOYSA-N
MW284.75 g/mol
LogP-0.42
Rot. Bonds3

About 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide

2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide (PubChem CID 47159148) has the molecular formula C11H17ClN6O and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide
PubChem CID47159148
Molecular FormulaC11H17ClN6O
Molecular Weight284.75 g/mol
Exact Mass284.12
IUPAC Name2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(c2cc(Cl)nc(N)n2)CC1
InChIInChI=1S/C11H17ClN6O/c1-14-10(19)7-17-2-4-18(5-3-17)9-6-8(12)15-11(13)16-9/h6H,2-5,7H2,1H3,(H,14,19)(H2,13,15,16)
InChIKeyBJUIQXMFERGWNM-UHFFFAOYSA-N
XLogP-0.42
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide (CID 47159148) is 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(c2cc(Cl)nc(N)n2)CC1.
What is the InChIKey of 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is BJUIQXMFERGWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN6O/c1-14-10(19)7-17-2-4-18(5-3-17)9-6-8(12)15-11(13)16-9/h6H,2-5,7H2,1H3,(H,14,19)(H2,13,15,16).
What are the key properties of 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide?
2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 284.75 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 47159148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).