N-tert-butyl-1-methylpyrimidin-2-imine

C9H15N3 — CID 59485550

IUPACN-tert-butyl-1-methylpyrimidin-2-imine
SMILESCn1cccn/c1=N\C(C)(C)C
InChIInChI=1S/C9H15N3/c1-9(2,3)11-8-10-6-5-7-12(8)4/h5-7H,1-4H3/b11-8+
InChIKeyOMZKZRXKAOIODU-DHZHZOJOSA-N
MW165.24 g/mol
LogP1.12
Rot. Bonds

About N-tert-butyl-1-methylpyrimidin-2-imine

N-tert-butyl-1-methylpyrimidin-2-imine (PubChem CID 59485550) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-tert-butyl-1-methylpyrimidin-2-imine.

Molecular Properties

Compound NameN-tert-butyl-1-methylpyrimidin-2-imine
PubChem CID59485550
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-tert-butyl-1-methylpyrimidin-2-imine
SMILESCn1cccn/c1=N\C(C)(C)C
InChIInChI=1S/C9H15N3/c1-9(2,3)11-8-10-6-5-7-12(8)4/h5-7H,1-4H3/b11-8+
InChIKeyOMZKZRXKAOIODU-DHZHZOJOSA-N
XLogP1.12
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-methylpyrimidin-2-imine?
The IUPAC name of N-tert-butyl-1-methylpyrimidin-2-imine (CID 59485550) is N-tert-butyl-1-methylpyrimidin-2-imine.
What is the SMILES notation for N-tert-butyl-1-methylpyrimidin-2-imine?
The canonical SMILES for N-tert-butyl-1-methylpyrimidin-2-imine is Cn1cccn/c1=N\C(C)(C)C.
What is the InChIKey of N-tert-butyl-1-methylpyrimidin-2-imine?
The InChIKey is OMZKZRXKAOIODU-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H15N3/c1-9(2,3)11-8-10-6-5-7-12(8)4/h5-7H,1-4H3/b11-8+.
What are the key properties of N-tert-butyl-1-methylpyrimidin-2-imine?
N-tert-butyl-1-methylpyrimidin-2-imine has a molecular weight of 165.24 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-methylpyrimidin-2-imine is sourced from PubChem (CID 59485550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).