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

C14H24BrN3 — CID 102907356

IUPAC6-bromo-2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
SMILESCCc1nc(Br)cc(NCC(C(C)C)C(C)C)n1
InChIInChI=1S/C14H24BrN3/c1-6-13-17-12(15)7-14(18-13)16-8-11(9(2)3)10(4)5/h7,9-11H,6,8H2,1-5H3,(H,16,17,18)
InChIKeyOVDKGMWQJKGALR-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.14
Rot. Bonds6

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

6-bromo-2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine (PubChem CID 102907356) has the molecular formula C14H24BrN3 and a molecular weight of 314.27 g/mol. Its IUPAC name is 6-bromo-2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
PubChem CID102907356
Molecular FormulaC14H24BrN3
Molecular Weight314.27 g/mol
Exact Mass313.12
IUPAC Name6-bromo-2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
SMILESCCc1nc(Br)cc(NCC(C(C)C)C(C)C)n1
InChIInChI=1S/C14H24BrN3/c1-6-13-17-12(15)7-14(18-13)16-8-11(9(2)3)10(4)5/h7,9-11H,6,8H2,1-5H3,(H,16,17,18)
InChIKeyOVDKGMWQJKGALR-UHFFFAOYSA-N
XLogP4.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102907365
6-bromo-2-ethyl-N-(2-fluoroethyl)pyrimidin-4-amine
CID 126976268
3-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 114177404
4-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149277
N-(2-chloropropyl)-2-ethyl-6-methylpyrimidin-4-amine
CID 130512726
6-bromo-2-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine
CID 114156436
6-bromo-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
CID 106405420
6-bromo-2-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine
CID 106193537
6-bromo-2-ethyl-N-[(1-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 114095094
6-bromo-2-ethyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414820
1-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80933620
6-bromo-2-ethylpyrimidin-4-amine
CID 45094626

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine (CID 102907356) is 6-bromo-2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine is CCc1nc(Br)cc(NCC(C(C)C)C(C)C)n1.
What is the InChIKey of 6-bromo-2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine?
The InChIKey is OVDKGMWQJKGALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3/c1-6-13-17-12(15)7-14(18-13)16-8-11(9(2)3)10(4)5/h7,9-11H,6,8H2,1-5H3,(H,16,17,18).
What are the key properties of 6-bromo-2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine?
6-bromo-2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine has a molecular weight of 314.27 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 102907356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).