2-tert-butyl-4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine

C13H19N3 — CID 171326518

IUPAC2-tert-butyl-4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine
SMILESCC(C)(C)c1nccc(N2CC=CCC2)n1
InChIInChI=1S/C13H19N3/c1-13(2,3)12-14-8-7-11(15-12)16-9-5-4-6-10-16/h4-5,7-8H,6,9-10H2,1-3H3
InChIKeyUKKVXVLCFLBTQZ-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.54
Rot. Bonds1

About 2-tert-butyl-4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine

2-tert-butyl-4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine (PubChem CID 171326518) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-tert-butyl-4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine
PubChem CID171326518
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-tert-butyl-4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine
SMILESCC(C)(C)c1nccc(N2CC=CCC2)n1
InChIInChI=1S/C13H19N3/c1-13(2,3)12-14-8-7-11(15-12)16-9-5-4-6-10-16/h4-5,7-8H,6,9-10H2,1-3H3
InChIKeyUKKVXVLCFLBTQZ-UHFFFAOYSA-N
XLogP2.54
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine 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

2-tert-butyl-4-[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 133333986
2-tert-butyl-4-(4-methylpiperazin-1-yl)pyrimidine
CID 140914815
4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-2-carbonitrile
CID 130587758
[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 75423664
9-(2-tert-butylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane
CID 126806735
4-(2-tert-butylpyrimidin-4-yl)-2-methyl-2-phenylmorpholine
CID 133379561
2-tert-butyl-4-[4-(triazol-1-yl)piperidin-1-yl]pyrimidine
CID 133455634
[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]urea
CID 71923731
tert-butyl (2R)-4-(2-tert-butylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 133499466
2-tert-butyl-4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
CID 139004229
[1-(2-tert-butylpyrimidin-4-yl)pyrrolidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 172881484
(3S)-3-[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 96566783

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine?
The IUPAC name of 2-tert-butyl-4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine (CID 171326518) is 2-tert-butyl-4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine?
The canonical SMILES for 2-tert-butyl-4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine is CC(C)(C)c1nccc(N2CC=CCC2)n1.
What is the InChIKey of 2-tert-butyl-4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine?
The InChIKey is UKKVXVLCFLBTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-13(2,3)12-14-8-7-11(15-12)16-9-5-4-6-10-16/h4-5,7-8H,6,9-10H2,1-3H3.
What are the key properties of 2-tert-butyl-4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine?
2-tert-butyl-4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine has a molecular weight of 217.32 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine is sourced from PubChem (CID 171326518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).