6-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine

C14H17ClN6O — CID 3068567

IUPAC6-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine
SMILES[H]/N=c1\nc(N2CCN(c3cccc(Cl)c3)CC2)cc(N)n1O
InChIInChI=1S/C14H17ClN6O/c15-10-2-1-3-11(8-10)19-4-6-20(7-5-19)13-9-12(16)21(22)14(17)18-13/h1-3,8-9,17,22H,4-7,16H2/b17-14+
InChIKeyYBNNLVMYHYOFJV-SAPNQHFASA-N
MW320.78 g/mol
LogP1.16
Rot. Bonds2

About 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine

6-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine (PubChem CID 3068567) has the molecular formula C14H17ClN6O and a molecular weight of 320.78 g/mol. Its IUPAC name is 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine
PubChem CID3068567
Molecular FormulaC14H17ClN6O
Molecular Weight320.78 g/mol
Exact Mass320.12
IUPAC Name6-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine
SMILES[H]/N=c1\nc(N2CCN(c3cccc(Cl)c3)CC2)cc(N)n1O
InChIInChI=1S/C14H17ClN6O/c15-10-2-1-3-11(8-10)19-4-6-20(7-5-19)13-9-12(16)21(22)14(17)18-13/h1-3,8-9,17,22H,4-7,16H2/b17-14+
InChIKeyYBNNLVMYHYOFJV-SAPNQHFASA-N
XLogP1.16
TPSA94.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112724317
6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine
CID 78988842
1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)piperazine
CID 63960873
1-(3-chlorophenyl)azonane
CID 145391535
2,2,2-trichloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 4196573
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine
CID 83970369
5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
CID 43553966
3-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 133282877
[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine
CID 80909400
[6-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363660
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidin-2-amine
CID 80757578

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine?
The IUPAC name of 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine (CID 3068567) is 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine.
What is the SMILES notation for 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine?
The canonical SMILES for 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine is [H]/N=c1\nc(N2CCN(c3cccc(Cl)c3)CC2)cc(N)n1O.
What is the InChIKey of 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine?
The InChIKey is YBNNLVMYHYOFJV-SAPNQHFASA-N. The full InChI is InChI=1S/C14H17ClN6O/c15-10-2-1-3-11(8-10)19-4-6-20(7-5-19)13-9-12(16)21(22)14(17)18-13/h1-3,8-9,17,22H,4-7,16H2/b17-14+.
What are the key properties of 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine?
6-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine has a molecular weight of 320.78 g/mol, XLogP of 1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine is sourced from PubChem (CID 3068567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).