4-methoxy-N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]pyrimidin-2-amine

C17H21N3O2 — CID 15956126

IUPAC4-methoxy-N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]pyrimidin-2-amine
SMILESCOc1ccnc(Nc2ccc(C)c(OCC=C(C)C)c2)n1
InChIInChI=1S/C17H21N3O2/c1-12(2)8-10-22-15-11-14(6-5-13(15)3)19-17-18-9-7-16(20-17)21-4/h5-9,11H,10H2,1-4H3,(H,18,19,20)
InChIKeyBPDPPHSNDORTPP-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.88
Rot. Bonds6

About 4-methoxy-N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]pyrimidin-2-amine

4-methoxy-N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]pyrimidin-2-amine (PubChem CID 15956126) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-methoxy-N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]pyrimidin-2-amine
PubChem CID15956126
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name4-methoxy-N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]pyrimidin-2-amine
SMILESCOc1ccnc(Nc2ccc(C)c(OCC=C(C)C)c2)n1
InChIInChI=1S/C17H21N3O2/c1-12(2)8-10-22-15-11-14(6-5-13(15)3)19-17-18-9-7-16(20-17)21-4/h5-9,11H,10H2,1-4H3,(H,18,19,20)
InChIKeyBPDPPHSNDORTPP-UHFFFAOYSA-N
XLogP3.88
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-methoxy-N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]pyrimidin-2-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

Zotiraciclib
CID 16739650
4-[(4-Methoxypyrimidin-2-Yl)amino]-2-[(3-Methylbut-2-En-1-Yl)oxy]benzonitrile
CID 16074556
4-[2-(4-Cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile
CID 488789
4-[[4-[4-[(E)-2-cyanovinyl]-2,6-dimethyl-phenoxy]pyrimidin-2-yl]amino]benzonitrile
CID 6478571
4-[[4-[4-[(E)-2-cyanovinyl]-2-methyl-phenoxy]pyrimidin-2-yl]amino]benzonitrile
CID 6478572
2-Aminoquinazoline 6
CID 5330305
2-(4-Butoxyphenyl)pyrimidin-5-amine
CID 604596
4-[[4-(2,4,6-Trimethylphenoxy)-2-pyrimidinyl]amino]benzonitrile
CID 488767
N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-4-methoxy-pyrimidin-2-amine
CID 11537036
N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-4-methyl-pyrimidin-2-amine
CID 11601905
2-(3-Methylbut-2-enoxy)-4-(2-pyridylamino)benzonitrile
CID 15956117
2-(3-Methylbut-2-enoxy)-4-(pyrimidin-2-ylamino)benzonitrile
CID 15956122

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]pyrimidin-2-amine (CID 15956126) is 4-methoxy-N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]pyrimidin-2-amine is COc1ccnc(Nc2ccc(C)c(OCC=C(C)C)c2)n1.
What is the InChIKey of 4-methoxy-N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]pyrimidin-2-amine?
The InChIKey is BPDPPHSNDORTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(2)8-10-22-15-11-14(6-5-13(15)3)19-17-18-9-7-16(20-17)21-4/h5-9,11H,10H2,1-4H3,(H,18,19,20).
What are the key properties of 4-methoxy-N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]pyrimidin-2-amine?
4-methoxy-N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]pyrimidin-2-amine has a molecular weight of 299.37 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 15956126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).