(E)-3-(2-anilino-6-methylpyrimidin-4-yl)prop-2-en-1-ol

C14H15N3O — CID 165362759

IUPAC(E)-3-(2-anilino-6-methylpyrimidin-4-yl)prop-2-en-1-ol
SMILESCc1cc(/C=C/CO)nc(Nc2ccccc2)n1
InChIInChI=1S/C14H15N3O/c1-11-10-13(8-5-9-18)17-14(15-11)16-12-6-3-2-4-7-12/h2-8,10,18H,9H2,1H3,(H,15,16,17)/b8-5+
InChIKeyYDTGUMSCZSFBGT-VMPITWQZSA-N
MW241.29 g/mol
LogP2.53
Rot. Bonds4

About (E)-3-(2-anilino-6-methylpyrimidin-4-yl)prop-2-en-1-ol

(E)-3-(2-anilino-6-methylpyrimidin-4-yl)prop-2-en-1-ol (PubChem CID 165362759) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is (E)-3-(2-anilino-6-methylpyrimidin-4-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(2-anilino-6-methylpyrimidin-4-yl)prop-2-en-1-ol
PubChem CID165362759
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name(E)-3-(2-anilino-6-methylpyrimidin-4-yl)prop-2-en-1-ol
SMILESCc1cc(/C=C/CO)nc(Nc2ccccc2)n1
InChIInChI=1S/C14H15N3O/c1-11-10-13(8-5-9-18)17-14(15-11)16-12-6-3-2-4-7-12/h2-8,10,18H,9H2,1H3,(H,15,16,17)/b8-5+
InChIKeyYDTGUMSCZSFBGT-VMPITWQZSA-N
XLogP2.53
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-anilino-6-methylpyrimidin-4-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(2-anilino-6-methylpyrimidin-4-yl)prop-2-en-1-ol (CID 165362759) is (E)-3-(2-anilino-6-methylpyrimidin-4-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(2-anilino-6-methylpyrimidin-4-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(2-anilino-6-methylpyrimidin-4-yl)prop-2-en-1-ol is Cc1cc(/C=C/CO)nc(Nc2ccccc2)n1.
What is the InChIKey of (E)-3-(2-anilino-6-methylpyrimidin-4-yl)prop-2-en-1-ol?
The InChIKey is YDTGUMSCZSFBGT-VMPITWQZSA-N. The full InChI is InChI=1S/C14H15N3O/c1-11-10-13(8-5-9-18)17-14(15-11)16-12-6-3-2-4-7-12/h2-8,10,18H,9H2,1H3,(H,15,16,17)/b8-5+.
What are the key properties of (E)-3-(2-anilino-6-methylpyrimidin-4-yl)prop-2-en-1-ol?
(E)-3-(2-anilino-6-methylpyrimidin-4-yl)prop-2-en-1-ol has a molecular weight of 241.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-anilino-6-methylpyrimidin-4-yl)prop-2-en-1-ol is sourced from PubChem (CID 165362759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).