5-bromo-6-tert-butyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine

C15H24BrN3 — CID 66305830

IUPAC5-bromo-6-tert-butyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CC2C)nc(C(C)(C)C)c1Br
InChIInChI=1S/C15H24BrN3/c1-6-7-17-14-11(16)12(15(3,4)5)18-13(19-14)10-8-9(10)2/h9-10H,6-8H2,1-5H3,(H,17,18,19)
InChIKeyDLKANKKYFWFOSF-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.48
Rot. Bonds4

About 5-bromo-6-tert-butyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine

5-bromo-6-tert-butyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine (PubChem CID 66305830) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine
PubChem CID66305830
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name5-bromo-6-tert-butyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CC2C)nc(C(C)(C)C)c1Br
InChIInChI=1S/C15H24BrN3/c1-6-7-17-14-11(16)12(15(3,4)5)18-13(19-14)10-8-9(10)2/h9-10H,6-8H2,1-5H3,(H,17,18,19)
InChIKeyDLKANKKYFWFOSF-UHFFFAOYSA-N
XLogP4.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-tert-butyl-N-ethyl-2-(2-methylcyclopropyl)pyrimidin-4-amine
CID 66306616
5-bromo-6-cyclopropyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine
CID 66304188
5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-propylpyrimidin-4-amine
CID 66305829
5-bromo-2,6-ditert-butyl-N-propylpyrimidin-4-amine
CID 66305031
5-bromo-6-tert-butyl-2-(2,2-dimethylcyclopropyl)-N-ethylpyrimidin-4-amine
CID 107925707
2-(2-methylcyclopropyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65421960
methyl 5-bromo-4-tert-butyl-6-(propylamino)pyrimidine-2-carboxylate
CID 66305837
5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
CID 116503025
5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine
CID 106815296
5-bromo-6-tert-butyl-N-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine
CID 66307213
5-bromo-6-ethyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 66300830
5-bromo-N-ethyl-6-(methoxymethyl)-2-(2-methylcyclopropyl)pyrimidin-4-amine
CID 66299977

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine (CID 66305830) is 5-bromo-6-tert-butyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine is CCCNc1nc(C2CC2C)nc(C(C)(C)C)c1Br.
What is the InChIKey of 5-bromo-6-tert-butyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine?
The InChIKey is DLKANKKYFWFOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-6-7-17-14-11(16)12(15(3,4)5)18-13(19-14)10-8-9(10)2/h9-10H,6-8H2,1-5H3,(H,17,18,19).
What are the key properties of 5-bromo-6-tert-butyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine?
5-bromo-6-tert-butyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine has a molecular weight of 326.28 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-tert-butyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66305830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).