5-bromo-N-[5-(methoxymethyl)-1H-pyrrol-3-yl]pyrimidin-2-amine

C10H11BrN4O — CID 141336621

IUPAC5-bromo-N-[5-(methoxymethyl)-1H-pyrrol-3-yl]pyrimidin-2-amine
SMILESCOCc1cc(Nc2ncc(Br)cn2)c[nH]1
InChIInChI=1S/C10H11BrN4O/c1-16-6-9-2-8(5-12-9)15-10-13-3-7(11)4-14-10/h2-5,12H,6H2,1H3,(H,13,14,15)
InChIKeyDILZVURPVVBHJG-UHFFFAOYSA-N
MW283.13 g/mol
LogP2.46
Rot. Bonds4

About 5-bromo-N-[5-(methoxymethyl)-1H-pyrrol-3-yl]pyrimidin-2-amine

5-bromo-N-[5-(methoxymethyl)-1H-pyrrol-3-yl]pyrimidin-2-amine (PubChem CID 141336621) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is 5-bromo-N-[5-(methoxymethyl)-1H-pyrrol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[5-(methoxymethyl)-1H-pyrrol-3-yl]pyrimidin-2-amine
PubChem CID141336621
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name5-bromo-N-[5-(methoxymethyl)-1H-pyrrol-3-yl]pyrimidin-2-amine
SMILESCOCc1cc(Nc2ncc(Br)cn2)c[nH]1
InChIInChI=1S/C10H11BrN4O/c1-16-6-9-2-8(5-12-9)15-10-13-3-7(11)4-14-10/h2-5,12H,6H2,1H3,(H,13,14,15)
InChIKeyDILZVURPVVBHJG-UHFFFAOYSA-N
XLogP2.46
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-(methoxymethyl)-1H-pyrrol-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[5-(methoxymethyl)-1H-pyrrol-3-yl]pyrimidin-2-amine (CID 141336621) is 5-bromo-N-[5-(methoxymethyl)-1H-pyrrol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[5-(methoxymethyl)-1H-pyrrol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[5-(methoxymethyl)-1H-pyrrol-3-yl]pyrimidin-2-amine is COCc1cc(Nc2ncc(Br)cn2)c[nH]1.
What is the InChIKey of 5-bromo-N-[5-(methoxymethyl)-1H-pyrrol-3-yl]pyrimidin-2-amine?
The InChIKey is DILZVURPVVBHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O/c1-16-6-9-2-8(5-12-9)15-10-13-3-7(11)4-14-10/h2-5,12H,6H2,1H3,(H,13,14,15).
What are the key properties of 5-bromo-N-[5-(methoxymethyl)-1H-pyrrol-3-yl]pyrimidin-2-amine?
5-bromo-N-[5-(methoxymethyl)-1H-pyrrol-3-yl]pyrimidin-2-amine has a molecular weight of 283.13 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[5-(methoxymethyl)-1H-pyrrol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 141336621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).