5-tert-butyl-2-methylpyrimidine-4,6-diamine

C9H16N4 — CID 90873862

IUPAC5-tert-butyl-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C(C)(C)C)c(N)n1
InChIInChI=1S/C9H16N4/c1-5-12-7(10)6(8(11)13-5)9(2,3)4/h1-4H3,(H4,10,11,12,13)
InChIKeyMZAVQULOSANHGD-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.25
Rot. Bonds

About 5-tert-butyl-2-methylpyrimidine-4,6-diamine

5-tert-butyl-2-methylpyrimidine-4,6-diamine (PubChem CID 90873862) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-tert-butyl-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-tert-butyl-2-methylpyrimidine-4,6-diamine
PubChem CID90873862
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name5-tert-butyl-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C(C)(C)C)c(N)n1
InChIInChI=1S/C9H16N4/c1-5-12-7(10)6(8(11)13-5)9(2,3)4/h1-4H3,(H4,10,11,12,13)
InChIKeyMZAVQULOSANHGD-UHFFFAOYSA-N
XLogP1.25
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 5-tert-butyl-2-methylpyrimidine-4,6-diamine (CID 90873862) is 5-tert-butyl-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-tert-butyl-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 5-tert-butyl-2-methylpyrimidine-4,6-diamine is Cc1nc(N)c(C(C)(C)C)c(N)n1.
What is the InChIKey of 5-tert-butyl-2-methylpyrimidine-4,6-diamine?
The InChIKey is MZAVQULOSANHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-5-12-7(10)6(8(11)13-5)9(2,3)4/h1-4H3,(H4,10,11,12,13).
What are the key properties of 5-tert-butyl-2-methylpyrimidine-4,6-diamine?
5-tert-butyl-2-methylpyrimidine-4,6-diamine has a molecular weight of 180.25 g/mol, XLogP of 1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 90873862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).