N-(2-bromoethyl)-6-ethyl-2-methyl-N-propan-2-ylpyrimidin-4-amine

C12H20BrN3 — CID 80670696

IUPACN-(2-bromoethyl)-6-ethyl-2-methyl-N-propan-2-ylpyrimidin-4-amine
SMILESCCc1cc(N(CCBr)C(C)C)nc(C)n1
InChIInChI=1S/C12H20BrN3/c1-5-11-8-12(15-10(4)14-11)16(7-6-13)9(2)3/h8-9H,5-7H2,1-4H3
InChIKeyZEQIYXWCXSKHFW-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.96
Rot. Bonds5

About N-(2-bromoethyl)-6-ethyl-2-methyl-N-propan-2-ylpyrimidin-4-amine

N-(2-bromoethyl)-6-ethyl-2-methyl-N-propan-2-ylpyrimidin-4-amine (PubChem CID 80670696) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is N-(2-bromoethyl)-6-ethyl-2-methyl-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-6-ethyl-2-methyl-N-propan-2-ylpyrimidin-4-amine
PubChem CID80670696
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC NameN-(2-bromoethyl)-6-ethyl-2-methyl-N-propan-2-ylpyrimidin-4-amine
SMILESCCc1cc(N(CCBr)C(C)C)nc(C)n1
InChIInChI=1S/C12H20BrN3/c1-5-11-8-12(15-10(4)14-11)16(7-6-13)9(2)3/h8-9H,5-7H2,1-4H3
InChIKeyZEQIYXWCXSKHFW-UHFFFAOYSA-N
XLogP2.96
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24992077
4-Ethyl-6-[3-(methylamino)-1-azetidinyl]-2-pyrimidinamine
CID 42623567
4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 42624149
4-[(3R)-3-aminopyrrolidin-1-yl]-6-ethylpyrimidin-2-amine
CID 53258370
6-Ethyl-2,4-diisobutylaminopyrimidine
CID 25133613
4-(3-Aminoazetidin-1-yl)-6-ethylpyrimidin-2-amine
CID 155527319
4-[3-(Dimethylamino)azetidin-1-yl]-6-ethylpyrimidin-2-amine
CID 155528291
4-[3-(Dimethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 155541911
4-Ethyl-6-[3-(ethylamino)azetidin-1-yl]pyrimidin-2-amine
CID 155562440
6-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N-methylpyrimidine-2,4-diamine
CID 25128829
6-tert-butyl-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 25130578
N,N-diethyl-4,6-dimethylpyrimidin-2-amine
CID 4181181

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-6-ethyl-2-methyl-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(2-bromoethyl)-6-ethyl-2-methyl-N-propan-2-ylpyrimidin-4-amine (CID 80670696) is N-(2-bromoethyl)-6-ethyl-2-methyl-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromoethyl)-6-ethyl-2-methyl-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromoethyl)-6-ethyl-2-methyl-N-propan-2-ylpyrimidin-4-amine is CCc1cc(N(CCBr)C(C)C)nc(C)n1.
What is the InChIKey of N-(2-bromoethyl)-6-ethyl-2-methyl-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZEQIYXWCXSKHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-5-11-8-12(15-10(4)14-11)16(7-6-13)9(2)3/h8-9H,5-7H2,1-4H3.
What are the key properties of N-(2-bromoethyl)-6-ethyl-2-methyl-N-propan-2-ylpyrimidin-4-amine?
N-(2-bromoethyl)-6-ethyl-2-methyl-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 286.22 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-6-ethyl-2-methyl-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80670696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).