5-[2-[4-ethyl-6-[4-(2-methylprop-1-enyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine

C22H27N5 — CID 58073704

IUPAC5-[2-[4-ethyl-6-[4-(2-methylprop-1-enyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine
SMILESCCc1ncnc(N2CCC(C=C(C)C)CC2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C22H27N5/c1-4-20-19(7-5-18-6-8-21(23)24-14-18)22(26-15-25-20)27-11-9-17(10-12-27)13-16(2)3/h6,8,13-15,17H,4,9-12H2,1-3H3,(H2,23,24)
InChIKeyWPKCXIBHOZSFMI-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.60
Rot. Bonds3

About 5-[2-[4-ethyl-6-[4-(2-methylprop-1-enyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine

5-[2-[4-ethyl-6-[4-(2-methylprop-1-enyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine (PubChem CID 58073704) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 5-[2-[4-ethyl-6-[4-(2-methylprop-1-enyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-[4-ethyl-6-[4-(2-methylprop-1-enyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine
PubChem CID58073704
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name5-[2-[4-ethyl-6-[4-(2-methylprop-1-enyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine
SMILESCCc1ncnc(N2CCC(C=C(C)C)CC2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C22H27N5/c1-4-20-19(7-5-18-6-8-21(23)24-14-18)22(26-15-25-20)27-11-9-17(10-12-27)13-16(2)3/h6,8,13-15,17H,4,9-12H2,1-3H3,(H2,23,24)
InChIKeyWPKCXIBHOZSFMI-UHFFFAOYSA-N
XLogP3.60
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[2-[4-ethyl-6-[4-(2-methylprop-1-enyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-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

Amprolium Hydrochloride
CID 8732
Amprolium
CID 73341
Amprolium ion
CID 2178
Jnj-38893777
CID 16742146
2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52949700
5-(2-Morpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 53326637
Pik-iii
CID 67983123
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
5-(4-(Dimethylamino)phenyl)-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
CID 11987868
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
N-(4,6-dimethyl-2-pyridinyl)-4-(4-pyridinyl)-1-piperazinecarbothioamide
CID 49853203
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-ethyl-6-[4-(2-methylprop-1-enyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine?
The IUPAC name of 5-[2-[4-ethyl-6-[4-(2-methylprop-1-enyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine (CID 58073704) is 5-[2-[4-ethyl-6-[4-(2-methylprop-1-enyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine.
What is the SMILES notation for 5-[2-[4-ethyl-6-[4-(2-methylprop-1-enyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine?
The canonical SMILES for 5-[2-[4-ethyl-6-[4-(2-methylprop-1-enyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine is CCc1ncnc(N2CCC(C=C(C)C)CC2)c1C#Cc1ccc(N)nc1.
What is the InChIKey of 5-[2-[4-ethyl-6-[4-(2-methylprop-1-enyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine?
The InChIKey is WPKCXIBHOZSFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-4-20-19(7-5-18-6-8-21(23)24-14-18)22(26-15-25-20)27-11-9-17(10-12-27)13-16(2)3/h6,8,13-15,17H,4,9-12H2,1-3H3,(H2,23,24).
What are the key properties of 5-[2-[4-ethyl-6-[4-(2-methylprop-1-enyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine?
5-[2-[4-ethyl-6-[4-(2-methylprop-1-enyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine has a molecular weight of 361.49 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-ethyl-6-[4-(2-methylprop-1-enyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine is sourced from PubChem (CID 58073704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).