6-tert-butyl-5-methanimidoylpyrimidin-4-amine

C9H14N4 — CID 177078672

IUPAC6-tert-butyl-5-methanimidoylpyrimidin-4-amine
SMILES[H]/N=C/c1c(N)ncnc1C(C)(C)C
InChIInChI=1S/C9H14N4/c1-9(2,3)7-6(4-10)8(11)13-5-12-7/h4-5,10H,1-3H3,(H2,11,12,13)/b10-4+
InChIKeyYQHLNFGMEOHRAA-ONNFQVAWSA-N
MW178.24 g/mol
LogP1.35
Rot. Bonds1

About 6-tert-butyl-5-methanimidoylpyrimidin-4-amine

6-tert-butyl-5-methanimidoylpyrimidin-4-amine (PubChem CID 177078672) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 6-tert-butyl-5-methanimidoylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-5-methanimidoylpyrimidin-4-amine
PubChem CID177078672
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name6-tert-butyl-5-methanimidoylpyrimidin-4-amine
SMILES[H]/N=C/c1c(N)ncnc1C(C)(C)C
InChIInChI=1S/C9H14N4/c1-9(2,3)7-6(4-10)8(11)13-5-12-7/h4-5,10H,1-3H3,(H2,11,12,13)/b10-4+
InChIKeyYQHLNFGMEOHRAA-ONNFQVAWSA-N
XLogP1.35
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-methanimidoylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-5-methanimidoylpyrimidin-4-amine (CID 177078672) is 6-tert-butyl-5-methanimidoylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-5-methanimidoylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-5-methanimidoylpyrimidin-4-amine is [H]/N=C/c1c(N)ncnc1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-5-methanimidoylpyrimidin-4-amine?
The InChIKey is YQHLNFGMEOHRAA-ONNFQVAWSA-N. The full InChI is InChI=1S/C9H14N4/c1-9(2,3)7-6(4-10)8(11)13-5-12-7/h4-5,10H,1-3H3,(H2,11,12,13)/b10-4+.
What are the key properties of 6-tert-butyl-5-methanimidoylpyrimidin-4-amine?
6-tert-butyl-5-methanimidoylpyrimidin-4-amine has a molecular weight of 178.24 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-methanimidoylpyrimidin-4-amine is sourced from PubChem (CID 177078672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).