5-(1-aminoethenyl)-4-tert-butylpyrimidin-2-amine

C10H16N4 — CID 170380398

IUPAC5-(1-aminoethenyl)-4-tert-butylpyrimidin-2-amine
SMILESC=C(N)c1cnc(N)nc1C(C)(C)C
InChIInChI=1S/C10H16N4/c1-6(11)7-5-13-9(12)14-8(7)10(2,3)4/h5H,1,11H2,2-4H3,(H2,12,13,14)
InChIKeyZXHHQZUJVGGMDD-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.29
Rot. Bonds1

About 5-(1-aminoethenyl)-4-tert-butylpyrimidin-2-amine

5-(1-aminoethenyl)-4-tert-butylpyrimidin-2-amine (PubChem CID 170380398) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 5-(1-aminoethenyl)-4-tert-butylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(1-aminoethenyl)-4-tert-butylpyrimidin-2-amine
PubChem CID170380398
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name5-(1-aminoethenyl)-4-tert-butylpyrimidin-2-amine
SMILESC=C(N)c1cnc(N)nc1C(C)(C)C
InChIInChI=1S/C10H16N4/c1-6(11)7-5-13-9(12)14-8(7)10(2,3)4/h5H,1,11H2,2-4H3,(H2,12,13,14)
InChIKeyZXHHQZUJVGGMDD-UHFFFAOYSA-N
XLogP1.29
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethenyl)-4-tert-butylpyrimidin-2-amine?
The IUPAC name of 5-(1-aminoethenyl)-4-tert-butylpyrimidin-2-amine (CID 170380398) is 5-(1-aminoethenyl)-4-tert-butylpyrimidin-2-amine.
What is the SMILES notation for 5-(1-aminoethenyl)-4-tert-butylpyrimidin-2-amine?
The canonical SMILES for 5-(1-aminoethenyl)-4-tert-butylpyrimidin-2-amine is C=C(N)c1cnc(N)nc1C(C)(C)C.
What is the InChIKey of 5-(1-aminoethenyl)-4-tert-butylpyrimidin-2-amine?
The InChIKey is ZXHHQZUJVGGMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-6(11)7-5-13-9(12)14-8(7)10(2,3)4/h5H,1,11H2,2-4H3,(H2,12,13,14).
What are the key properties of 5-(1-aminoethenyl)-4-tert-butylpyrimidin-2-amine?
5-(1-aminoethenyl)-4-tert-butylpyrimidin-2-amine has a molecular weight of 192.27 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethenyl)-4-tert-butylpyrimidin-2-amine is sourced from PubChem (CID 170380398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).