6-methyl-N-(6-methylidene-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)pyrimidin-4-amine

C15H17N3 — CID 139469956

IUPAC6-methyl-N-(6-methylidene-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)pyrimidin-4-amine
SMILESC=C(C)C1=CC=C(Nc2cc(C)ncn2)C(=C)C1
InChIInChI=1S/C15H17N3/c1-10(2)13-5-6-14(11(3)7-13)18-15-8-12(4)16-9-17-15/h5-6,8-9H,1,3,7H2,2,4H3,(H,16,17,18)
InChIKeyWOOJVNFTAAXQJE-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.54
Rot. Bonds3

About 6-methyl-N-(6-methylidene-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)pyrimidin-4-amine

6-methyl-N-(6-methylidene-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)pyrimidin-4-amine (PubChem CID 139469956) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-methyl-N-(6-methylidene-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(6-methylidene-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)pyrimidin-4-amine
PubChem CID139469956
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name6-methyl-N-(6-methylidene-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)pyrimidin-4-amine
SMILESC=C(C)C1=CC=C(Nc2cc(C)ncn2)C(=C)C1
InChIInChI=1S/C15H17N3/c1-10(2)13-5-6-14(11(3)7-13)18-15-8-12(4)16-9-17-15/h5-6,8-9H,1,3,7H2,2,4H3,(H,16,17,18)
InChIKeyWOOJVNFTAAXQJE-UHFFFAOYSA-N
XLogP3.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(6-methylidene-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(6-methylidene-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)pyrimidin-4-amine (CID 139469956) is 6-methyl-N-(6-methylidene-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(6-methylidene-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(6-methylidene-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)pyrimidin-4-amine is C=C(C)C1=CC=C(Nc2cc(C)ncn2)C(=C)C1.
What is the InChIKey of 6-methyl-N-(6-methylidene-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)pyrimidin-4-amine?
The InChIKey is WOOJVNFTAAXQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-10(2)13-5-6-14(11(3)7-13)18-15-8-12(4)16-9-17-15/h5-6,8-9H,1,3,7H2,2,4H3,(H,16,17,18).
What are the key properties of 6-methyl-N-(6-methylidene-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)pyrimidin-4-amine?
6-methyl-N-(6-methylidene-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)pyrimidin-4-amine has a molecular weight of 239.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(6-methylidene-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 139469956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).