N'-(5-bromopyrimidin-4-yl)-N'-cyclopropylpropane-1,3-diamine

C10H15BrN4 — CID 66340953

IUPACN'-(5-bromopyrimidin-4-yl)-N'-cyclopropylpropane-1,3-diamine
SMILESNCCCN(c1ncncc1Br)C1CC1
InChIInChI=1S/C10H15BrN4/c11-9-6-13-7-14-10(9)15(5-1-4-12)8-2-3-8/h6-8H,1-5,12H2
InChIKeyVSQNIYTXBZUECL-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.56
Rot. Bonds5

About N'-(5-bromopyrimidin-4-yl)-N'-cyclopropylpropane-1,3-diamine

N'-(5-bromopyrimidin-4-yl)-N'-cyclopropylpropane-1,3-diamine (PubChem CID 66340953) has the molecular formula C10H15BrN4 and a molecular weight of 271.16 g/mol. Its IUPAC name is N'-(5-bromopyrimidin-4-yl)-N'-cyclopropylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-bromopyrimidin-4-yl)-N'-cyclopropylpropane-1,3-diamine
PubChem CID66340953
Molecular FormulaC10H15BrN4
Molecular Weight271.16 g/mol
Exact Mass270.05
IUPAC NameN'-(5-bromopyrimidin-4-yl)-N'-cyclopropylpropane-1,3-diamine
SMILESNCCCN(c1ncncc1Br)C1CC1
InChIInChI=1S/C10H15BrN4/c11-9-6-13-7-14-10(9)15(5-1-4-12)8-2-3-8/h6-8H,1-5,12H2
InChIKeyVSQNIYTXBZUECL-UHFFFAOYSA-N
XLogP1.56
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(5-bromopyrimidin-4-yl)-N'-cyclopropylpropane-1,3-diamine?
The IUPAC name of N'-(5-bromopyrimidin-4-yl)-N'-cyclopropylpropane-1,3-diamine (CID 66340953) is N'-(5-bromopyrimidin-4-yl)-N'-cyclopropylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-bromopyrimidin-4-yl)-N'-cyclopropylpropane-1,3-diamine?
The canonical SMILES for N'-(5-bromopyrimidin-4-yl)-N'-cyclopropylpropane-1,3-diamine is NCCCN(c1ncncc1Br)C1CC1.
What is the InChIKey of N'-(5-bromopyrimidin-4-yl)-N'-cyclopropylpropane-1,3-diamine?
The InChIKey is VSQNIYTXBZUECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4/c11-9-6-13-7-14-10(9)15(5-1-4-12)8-2-3-8/h6-8H,1-5,12H2.
What are the key properties of N'-(5-bromopyrimidin-4-yl)-N'-cyclopropylpropane-1,3-diamine?
N'-(5-bromopyrimidin-4-yl)-N'-cyclopropylpropane-1,3-diamine has a molecular weight of 271.16 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromopyrimidin-4-yl)-N'-cyclopropylpropane-1,3-diamine is sourced from PubChem (CID 66340953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).