5-bromo-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine

C10H16BrN3O — CID 66304100

IUPAC5-bromo-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CCOC)ncc1Br
InChIInChI=1S/C10H16BrN3O/c1-3-5-12-10-8(11)7-13-9(14-10)4-6-15-2/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyMSFHBQPSQSWVBU-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.25
Rot. Bonds6

About 5-bromo-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine

5-bromo-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine (PubChem CID 66304100) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine
PubChem CID66304100
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name5-bromo-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CCOC)ncc1Br
InChIInChI=1S/C10H16BrN3O/c1-3-5-12-10-8(11)7-13-9(14-10)4-6-15-2/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyMSFHBQPSQSWVBU-UHFFFAOYSA-N
XLogP2.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 66301652
5-bromo-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 119026670
5-bromo-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 66303289
5-bromo-2-chloro-N-propylpyrimidin-4-amine
CID 53485997
5-bromo-N-ethyl-2-(propoxymethyl)pyrimidin-4-amine
CID 66301436
5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine
CID 80858542
5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66306125
5-bromo-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 116729820
5-bromo-2-N-ethyl-4-N-(4-methoxybutyl)pyrimidine-2,4-diamine
CID 80813928
5-bromo-2-[(2-methylphenyl)sulfanylmethyl]-N-propylpyrimidin-4-amine
CID 66302466
5-bromo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine
CID 104611761
5-bromo-4-N-(4-methoxybutyl)-2-N-methylpyrimidine-2,4-diamine
CID 80813067

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine (CID 66304100) is 5-bromo-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine is CCCNc1nc(CCOC)ncc1Br.
What is the InChIKey of 5-bromo-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine?
The InChIKey is MSFHBQPSQSWVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-3-5-12-10-8(11)7-13-9(14-10)4-6-15-2/h7H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 5-bromo-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine?
5-bromo-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine has a molecular weight of 274.16 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66304100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).