2-tert-butyl-6-chloro-N-(4-imidazol-1-ylbutyl)pyrimidin-4-amine

C15H22ClN5 — CID 80946117

IUPAC2-tert-butyl-6-chloro-N-(4-imidazol-1-ylbutyl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(Cl)cc(NCCCCn2ccnc2)n1
InChIInChI=1S/C15H22ClN5/c1-15(2,3)14-19-12(16)10-13(20-14)18-6-4-5-8-21-9-7-17-11-21/h7,9-11H,4-6,8H2,1-3H3,(H,18,19,20)
InChIKeyAVUXZGODRKASDZ-UHFFFAOYSA-N
MW307.83 g/mol
LogP3.52
Rot. Bonds6

About 2-tert-butyl-6-chloro-N-(4-imidazol-1-ylbutyl)pyrimidin-4-amine

2-tert-butyl-6-chloro-N-(4-imidazol-1-ylbutyl)pyrimidin-4-amine (PubChem CID 80946117) has the molecular formula C15H22ClN5 and a molecular weight of 307.83 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-(4-imidazol-1-ylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-(4-imidazol-1-ylbutyl)pyrimidin-4-amine
PubChem CID80946117
Molecular FormulaC15H22ClN5
Molecular Weight307.83 g/mol
Exact Mass307.16
IUPAC Name2-tert-butyl-6-chloro-N-(4-imidazol-1-ylbutyl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(Cl)cc(NCCCCn2ccnc2)n1
InChIInChI=1S/C15H22ClN5/c1-15(2,3)14-19-12(16)10-13(20-14)18-6-4-5-8-21-9-7-17-11-21/h7,9-11H,4-6,8H2,1-3H3,(H,18,19,20)
InChIKeyAVUXZGODRKASDZ-UHFFFAOYSA-N
XLogP3.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(4-imidazol-1-ylbutyl)-2-methylsulfanylpyrimidin-4-amine
CID 80547015
6-chloro-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767357
4-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 106842915
4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine
CID 55124703
4-N-(3-imidazol-1-ylpropyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80753606
2-tert-butyl-6-chloro-N-pent-4-ynylpyrimidin-4-amine
CID 106223105
2-chloro-N-(4-imidazol-1-ylbutyl)-6-(methylamino)pyridine-4-carboxamide
CID 62173721
2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 80948792
ethyl 4-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]butanoate
CID 80951372
6-N-ethyl-4-N-(3-imidazol-1-ylpropyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80753527
N-(3-imidazol-1-ylpropyl)-1-methylpyrazol-3-amine
CID 79778766
2-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341655

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-(4-imidazol-1-ylbutyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-(4-imidazol-1-ylbutyl)pyrimidin-4-amine (CID 80946117) is 2-tert-butyl-6-chloro-N-(4-imidazol-1-ylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-(4-imidazol-1-ylbutyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-(4-imidazol-1-ylbutyl)pyrimidin-4-amine is CC(C)(C)c1nc(Cl)cc(NCCCCn2ccnc2)n1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-(4-imidazol-1-ylbutyl)pyrimidin-4-amine?
The InChIKey is AVUXZGODRKASDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN5/c1-15(2,3)14-19-12(16)10-13(20-14)18-6-4-5-8-21-9-7-17-11-21/h7,9-11H,4-6,8H2,1-3H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-6-chloro-N-(4-imidazol-1-ylbutyl)pyrimidin-4-amine?
2-tert-butyl-6-chloro-N-(4-imidazol-1-ylbutyl)pyrimidin-4-amine has a molecular weight of 307.83 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-(4-imidazol-1-ylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 80946117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).