5-bromo-N-ethyl-4-(1-methoxypropan-2-yloxy)pyrimidin-2-amine

C10H16BrN3O2 — CID 80880390

IUPAC5-bromo-N-ethyl-4-(1-methoxypropan-2-yloxy)pyrimidin-2-amine
SMILESCCNc1ncc(Br)c(OC(C)COC)n1
InChIInChI=1S/C10H16BrN3O2/c1-4-12-10-13-5-8(11)9(14-10)16-7(2)6-15-3/h5,7H,4,6H2,1-3H3,(H,12,13,14)
InChIKeyIHRUDLXBLPMPBO-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.08
Rot. Bonds6

About 5-bromo-N-ethyl-4-(1-methoxypropan-2-yloxy)pyrimidin-2-amine

5-bromo-N-ethyl-4-(1-methoxypropan-2-yloxy)pyrimidin-2-amine (PubChem CID 80880390) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 5-bromo-N-ethyl-4-(1-methoxypropan-2-yloxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-4-(1-methoxypropan-2-yloxy)pyrimidin-2-amine
PubChem CID80880390
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name5-bromo-N-ethyl-4-(1-methoxypropan-2-yloxy)pyrimidin-2-amine
SMILESCCNc1ncc(Br)c(OC(C)COC)n1
InChIInChI=1S/C10H16BrN3O2/c1-4-12-10-13-5-8(11)9(14-10)16-7(2)6-15-3/h5,7H,4,6H2,1-3H3,(H,12,13,14)
InChIKeyIHRUDLXBLPMPBO-UHFFFAOYSA-N
XLogP2.08
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine
CID 103408326
3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866531
5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine
CID 80861907
5-bromo-4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpyrimidin-2-amine
CID 80881149
5-chloro-4-(1-methoxypropan-2-yloxy)-N-methylpyrimidin-2-amine
CID 80879542
5-bromo-4-(2-cyclopropylethoxy)-N-ethylpyrimidin-2-amine
CID 106207530
5-bromo-N-(2-ethoxypropyl)-4-methoxypyrimidin-2-amine
CID 103746057
5-bromo-4-(2-butoxyethoxy)-N-ethylpyrimidin-2-amine
CID 80861009
5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine
CID 80858542
5-bromo-2-N-ethyl-4-N-(4-methoxybutyl)pyrimidine-2,4-diamine
CID 80813928
5-bromo-N-ethyl-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-amine
CID 80866160

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-4-(1-methoxypropan-2-yloxy)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-4-(1-methoxypropan-2-yloxy)pyrimidin-2-amine (CID 80880390) is 5-bromo-N-ethyl-4-(1-methoxypropan-2-yloxy)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-4-(1-methoxypropan-2-yloxy)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-4-(1-methoxypropan-2-yloxy)pyrimidin-2-amine is CCNc1ncc(Br)c(OC(C)COC)n1.
What is the InChIKey of 5-bromo-N-ethyl-4-(1-methoxypropan-2-yloxy)pyrimidin-2-amine?
The InChIKey is IHRUDLXBLPMPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-4-12-10-13-5-8(11)9(14-10)16-7(2)6-15-3/h5,7H,4,6H2,1-3H3,(H,12,13,14).
What are the key properties of 5-bromo-N-ethyl-4-(1-methoxypropan-2-yloxy)pyrimidin-2-amine?
5-bromo-N-ethyl-4-(1-methoxypropan-2-yloxy)pyrimidin-2-amine has a molecular weight of 290.16 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-4-(1-methoxypropan-2-yloxy)pyrimidin-2-amine is sourced from PubChem (CID 80880390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).