N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine

C10H15BrN4O — CID 106998101

IUPACN'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine
SMILESCOc1nc(NCCNC2CC2)ncc1Br
InChIInChI=1S/C10H15BrN4O/c1-16-9-8(11)6-14-10(15-9)13-5-4-12-7-2-3-7/h6-7,12H,2-5H2,1H3,(H,13,14,15)
InChIKeyPXCXUNSOFBNFGT-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.41
Rot. Bonds6

About N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine

N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine (PubChem CID 106998101) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine
PubChem CID106998101
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC NameN'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine
SMILESCOc1nc(NCCNC2CC2)ncc1Br
InChIInChI=1S/C10H15BrN4O/c1-16-9-8(11)6-14-10(15-9)13-5-4-12-7-2-3-7/h6-7,12H,2-5H2,1H3,(H,13,14,15)
InChIKeyPXCXUNSOFBNFGT-UHFFFAOYSA-N
XLogP1.41
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine?
The IUPAC name of N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine (CID 106998101) is N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine.
What is the SMILES notation for N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine?
The canonical SMILES for N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine is COc1nc(NCCNC2CC2)ncc1Br.
What is the InChIKey of N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine?
The InChIKey is PXCXUNSOFBNFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c1-16-9-8(11)6-14-10(15-9)13-5-4-12-7-2-3-7/h6-7,12H,2-5H2,1H3,(H,13,14,15).
What are the key properties of N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine?
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine has a molecular weight of 287.16 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 106998101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).