zinc;4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine;propane

C20H34Cl2N6Zn — CID 158136259

IUPACzinc;4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine;propane
SMILESCC(C)c1ncnc(C(C)C)c1N.C[CH-]C.C[CH-]C.Nc1c(Cl)ncnc1Cl.[Zn+2]
InChIInChI=1S/C10H17N3.C4H3Cl2N3.2C3H7.Zn/c1-6(2)9-8(11)10(7(3)4)13-5-12-9;5-3-2(7)4(6)9-1-8-3;2*1-3-2;/h5-7H,11H2,1-4H3;1H,7H2;2*3H,1-2H3;/q;;2*-1;+2
InChIKeyFTJQGSZNRAMIRN-UHFFFAOYSA-N
MW494.83 g/mol
LogP6.13
Rot. Bonds2

About zinc;4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine;propane

zinc;4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine;propane (PubChem CID 158136259) has the molecular formula C20H34Cl2N6Zn and a molecular weight of 494.83 g/mol. Its IUPAC name is zinc;4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine;propane.

Molecular Properties

Compound Namezinc;4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine;propane
PubChem CID158136259
Molecular FormulaC20H34Cl2N6Zn
Molecular Weight494.83 g/mol
Exact Mass492.15
IUPAC Namezinc;4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine;propane
SMILESCC(C)c1ncnc(C(C)C)c1N.C[CH-]C.C[CH-]C.Nc1c(Cl)ncnc1Cl.[Zn+2]
InChIInChI=1S/C10H17N3.C4H3Cl2N3.2C3H7.Zn/c1-6(2)9-8(11)10(7(3)4)13-5-12-9;5-3-2(7)4(6)9-1-8-3;2*1-3-2;/h5-7H,11H2,1-4H3;1H,7H2;2*3H,1-2H3;/q;;2*-1;+2
InChIKeyFTJQGSZNRAMIRN-UHFFFAOYSA-N
XLogP6.13
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.83
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc;4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine;propane?
The IUPAC name of zinc;4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine;propane (CID 158136259) is zinc;4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine;propane.
What is the SMILES notation for zinc;4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine;propane?
The canonical SMILES for zinc;4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine;propane is CC(C)c1ncnc(C(C)C)c1N.C[CH-]C.C[CH-]C.Nc1c(Cl)ncnc1Cl.[Zn+2].
What is the InChIKey of zinc;4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine;propane?
The InChIKey is FTJQGSZNRAMIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.C4H3Cl2N3.2C3H7.Zn/c1-6(2)9-8(11)10(7(3)4)13-5-12-9;5-3-2(7)4(6)9-1-8-3;2*1-3-2;/h5-7H,11H2,1-4H3;1H,7H2;2*3H,1-2H3;/q;;2*-1;+2.
What are the key properties of zinc;4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine;propane?
zinc;4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine;propane has a molecular weight of 494.83 g/mol, XLogP of 6.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine;propane is sourced from PubChem (CID 158136259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).