5-bromo-6-ethyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine

C13H16BrN5 — CID 66299847

IUPAC5-bromo-6-ethyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ncccn2)nc(CC)c1Br
InChIInChI=1S/C13H16BrN5/c1-3-6-15-11-10(14)9(4-2)18-13(19-11)12-16-7-5-8-17-12/h5,7-8H,3-4,6H2,1-2H3,(H,15,18,19)
InChIKeyDMPBNSKCJSJWOY-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.08
Rot. Bonds5

About 5-bromo-6-ethyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine

5-bromo-6-ethyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine (PubChem CID 66299847) has the molecular formula C13H16BrN5 and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-bromo-6-ethyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-ethyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
PubChem CID66299847
Molecular FormulaC13H16BrN5
Molecular Weight322.21 g/mol
Exact Mass321.06
IUPAC Name5-bromo-6-ethyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ncccn2)nc(CC)c1Br
InChIInChI=1S/C13H16BrN5/c1-3-6-15-11-10(14)9(4-2)18-13(19-11)12-16-7-5-8-17-12/h5,7-8H,3-4,6H2,1-2H3,(H,15,18,19)
InChIKeyDMPBNSKCJSJWOY-UHFFFAOYSA-N
XLogP3.08
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-ethyl-2-(2-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 66301030
5-bromo-2-(3,4-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine
CID 66296374
N-propyl-2-pyrimidin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55045480
5-iodo-6-methyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 66306328
5-bromo-2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 103445158
6-methyl-5-propan-2-yl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 62913276
6-ethyl-N,5-dimethyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 63561722
5-bromo-N,6-diethyl-2-phenylpyrimidin-4-amine
CID 66301217
5-bromo-6-ethyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 66300830
5-bromo-2-(2-chlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 66306369
5-bromo-6-ethyl-2-(phenylsulfanylmethyl)-N-propylpyrimidin-4-amine
CID 66298866
5-bromo-2-(2-bromophenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 66300779

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-ethyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine (CID 66299847) is 5-bromo-6-ethyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-ethyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-ethyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine is CCCNc1nc(-c2ncccn2)nc(CC)c1Br.
What is the InChIKey of 5-bromo-6-ethyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine?
The InChIKey is DMPBNSKCJSJWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5/c1-3-6-15-11-10(14)9(4-2)18-13(19-11)12-16-7-5-8-17-12/h5,7-8H,3-4,6H2,1-2H3,(H,15,18,19).
What are the key properties of 5-bromo-6-ethyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine?
5-bromo-6-ethyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine has a molecular weight of 322.21 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66299847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).