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

C12H18N10O2 — CID 3068565

IUPAC6-[4-(6-amino-1-hydroxy-2-iminopyrimidin-4-yl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine
SMILES[H]/N=c1\nc(N2CCN(c3cc(N)n(O)/c(=N/[H])n3)CC2)cc(N)n1O
InChIInChI=1S/C12H18N10O2/c13-7-5-9(17-11(15)21(7)23)19-1-2-20(4-3-19)10-6-8(14)22(24)12(16)18-10/h5-6,15-16,23-24H,1-4,13-14H2/b15-11+,16-12+
InChIKeyVEZVUJRHJYNWOL-JOBJLJCHSA-N
MW334.34 g/mol
LogP-2.00
Rot. Bonds2

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

6-[4-(6-amino-1-hydroxy-2-iminopyrimidin-4-yl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine (PubChem CID 3068565) has the molecular formula C12H18N10O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 6-[4-(6-amino-1-hydroxy-2-iminopyrimidin-4-yl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(6-amino-1-hydroxy-2-iminopyrimidin-4-yl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine
PubChem CID3068565
Molecular FormulaC12H18N10O2
Molecular Weight334.34 g/mol
Exact Mass334.16
IUPAC Name6-[4-(6-amino-1-hydroxy-2-iminopyrimidin-4-yl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine
SMILES[H]/N=c1\nc(N2CCN(c3cc(N)n(O)/c(=N/[H])n3)CC2)cc(N)n1O
InChIInChI=1S/C12H18N10O2/c13-7-5-9(17-11(15)21(7)23)19-1-2-20(4-3-19)10-6-8(14)22(24)12(16)18-10/h5-6,15-16,23-24H,1-4,13-14H2/b15-11+,16-12+
InChIKeyVEZVUJRHJYNWOL-JOBJLJCHSA-N
XLogP-2.00
TPSA182.32 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500334.34
LogP ≤ 5-2.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-amino-1-hydroxy-2-iminopyrimidin-4-yl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine?
The IUPAC name of 6-[4-(6-amino-1-hydroxy-2-iminopyrimidin-4-yl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine (CID 3068565) is 6-[4-(6-amino-1-hydroxy-2-iminopyrimidin-4-yl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine.
What is the SMILES notation for 6-[4-(6-amino-1-hydroxy-2-iminopyrimidin-4-yl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine?
The canonical SMILES for 6-[4-(6-amino-1-hydroxy-2-iminopyrimidin-4-yl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine is [H]/N=c1\nc(N2CCN(c3cc(N)n(O)/c(=N/[H])n3)CC2)cc(N)n1O.
What is the InChIKey of 6-[4-(6-amino-1-hydroxy-2-iminopyrimidin-4-yl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine?
The InChIKey is VEZVUJRHJYNWOL-JOBJLJCHSA-N. The full InChI is InChI=1S/C12H18N10O2/c13-7-5-9(17-11(15)21(7)23)19-1-2-20(4-3-19)10-6-8(14)22(24)12(16)18-10/h5-6,15-16,23-24H,1-4,13-14H2/b15-11+,16-12+.
What are the key properties of 6-[4-(6-amino-1-hydroxy-2-iminopyrimidin-4-yl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine?
6-[4-(6-amino-1-hydroxy-2-iminopyrimidin-4-yl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine has a molecular weight of 334.34 g/mol, XLogP of -2.00, 2 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-amino-1-hydroxy-2-iminopyrimidin-4-yl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine is sourced from PubChem (CID 3068565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).