5-[(Z)-but-2-en-2-yl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine

C10H15N3 — CID 155072452

IUPAC5-[(Z)-but-2-en-2-yl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine
SMILESC=C1NC(N)=NC(C)=C1/C(C)=C\C
InChIInChI=1S/C10H15N3/c1-5-6(2)9-7(3)12-10(11)13-8(9)4/h5H,3H2,1-2,4H3,(H3,11,12,13)/b6-5-
InChIKeyXEDMVNHKSPKYFQ-WAYWQWQTSA-N
MW177.25 g/mol
LogP1.66
Rot. Bonds1

About 5-[(Z)-but-2-en-2-yl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine

5-[(Z)-but-2-en-2-yl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine (PubChem CID 155072452) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-[(Z)-but-2-en-2-yl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(Z)-but-2-en-2-yl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine
PubChem CID155072452
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name5-[(Z)-but-2-en-2-yl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine
SMILESC=C1NC(N)=NC(C)=C1/C(C)=C\C
InChIInChI=1S/C10H15N3/c1-5-6(2)9-7(3)12-10(11)13-8(9)4/h5H,3H2,1-2,4H3,(H3,11,12,13)/b6-5-
InChIKeyXEDMVNHKSPKYFQ-WAYWQWQTSA-N
XLogP1.66
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-2-en-2-yl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine?
The IUPAC name of 5-[(Z)-but-2-en-2-yl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine (CID 155072452) is 5-[(Z)-but-2-en-2-yl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine.
What is the SMILES notation for 5-[(Z)-but-2-en-2-yl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine?
The canonical SMILES for 5-[(Z)-but-2-en-2-yl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine is C=C1NC(N)=NC(C)=C1/C(C)=C\C.
What is the InChIKey of 5-[(Z)-but-2-en-2-yl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine?
The InChIKey is XEDMVNHKSPKYFQ-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H15N3/c1-5-6(2)9-7(3)12-10(11)13-8(9)4/h5H,3H2,1-2,4H3,(H3,11,12,13)/b6-5-.
What are the key properties of 5-[(Z)-but-2-en-2-yl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine?
5-[(Z)-but-2-en-2-yl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine has a molecular weight of 177.25 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-2-en-2-yl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine is sourced from PubChem (CID 155072452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).