6-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine

C13H22BrN3 — CID 102907365

IUPAC6-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
SMILESCc1nc(Br)cc(NCC(C(C)C)C(C)C)n1
InChIInChI=1S/C13H22BrN3/c1-8(2)11(9(3)4)7-15-13-6-12(14)16-10(5)17-13/h6,8-9,11H,7H2,1-5H3,(H,15,16,17)
InChIKeyWDPACDCQIHUGBS-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.89
Rot. Bonds5

About 6-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine

6-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine (PubChem CID 102907365) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 6-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
PubChem CID102907365
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC Name6-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
SMILESCc1nc(Br)cc(NCC(C(C)C)C(C)C)n1
InChIInChI=1S/C13H22BrN3/c1-8(2)11(9(3)4)7-15-13-6-12(14)16-10(5)17-13/h6,8-9,11H,7H2,1-5H3,(H,15,16,17)
InChIKeyWDPACDCQIHUGBS-UHFFFAOYSA-N
XLogP3.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102907356
6-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-2,4-diamine
CID 102908872
3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106352561
6-bromo-N-(2-chloroprop-2-enyl)-2-methylpyrimidin-4-amine
CID 106195518
N-(2,3-dimethylbutyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66325089
N-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66332895
6-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 106014088
6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 106193594
6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-2-methylsulfanylpyrimidin-4-amine
CID 102909009
4-bromo-2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)aniline
CID 114281829
6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-(propylaminomethyl)pyridin-2-amine
CID 102915337
6-chloro-2-methyl-N-(2-methylsulfanylpropyl)pyrimidin-4-amine
CID 115756052

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine (CID 102907365) is 6-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine is Cc1nc(Br)cc(NCC(C(C)C)C(C)C)n1.
What is the InChIKey of 6-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine?
The InChIKey is WDPACDCQIHUGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-8(2)11(9(3)4)7-15-13-6-12(14)16-10(5)17-13/h6,8-9,11H,7H2,1-5H3,(H,15,16,17).
What are the key properties of 6-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine?
6-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine has a molecular weight of 300.24 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 102907365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).