2-cyclopropyl-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine

C17H19N3O — CID 80957766

IUPAC2-cyclopropyl-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine
SMILESC/C=C/c1ccccc1Oc1cc(NC)nc(C2CC2)n1
InChIInChI=1S/C17H19N3O/c1-3-6-12-7-4-5-8-14(12)21-16-11-15(18-2)19-17(20-16)13-9-10-13/h3-8,11,13H,9-10H2,1-2H3,(H,18,19,20)/b6-3+
InChIKeyJADGLNVUGHQYFC-ZZXKWVIFSA-N
MW281.36 g/mol
LogP4.22
Rot. Bonds5

About 2-cyclopropyl-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine

2-cyclopropyl-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine (PubChem CID 80957766) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-cyclopropyl-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine
PubChem CID80957766
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-cyclopropyl-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine
SMILESC/C=C/c1ccccc1Oc1cc(NC)nc(C2CC2)n1
InChIInChI=1S/C17H19N3O/c1-3-6-12-7-4-5-8-14(12)21-16-11-15(18-2)19-17(20-16)13-9-10-13/h3-8,11,13H,9-10H2,1-2H3,(H,18,19,20)/b6-3+
InChIKeyJADGLNVUGHQYFC-ZZXKWVIFSA-N
XLogP4.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-2,4-diamine
CID 80860093
6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 116691215
2-cyclopropyl-6-(5-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine
CID 102989022
6-(4-bromophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 80965887
N-methyl-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-amine
CID 80860701
2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-methylpyrimidin-4-amine
CID 80966664
2-cyclopropyl-6-[3-(dimethylamino)phenoxy]-N-methylpyrimidin-4-amine
CID 80966422
2-chloro-4-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine
CID 55080893
3-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80965882
2-cyclopropyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
CID 80965780
2-cyclopropyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 80956706
6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965500

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine (CID 80957766) is 2-cyclopropyl-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine is C/C=C/c1ccccc1Oc1cc(NC)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine?
The InChIKey is JADGLNVUGHQYFC-ZZXKWVIFSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-6-12-7-4-5-8-14(12)21-16-11-15(18-2)19-17(20-16)13-9-10-13/h3-8,11,13H,9-10H2,1-2H3,(H,18,19,20)/b6-3+.
What are the key properties of 2-cyclopropyl-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine?
2-cyclopropyl-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine has a molecular weight of 281.36 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine is sourced from PubChem (CID 80957766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).