N'-(5-bromopyrimidin-2-yl)-N'-cyclopropylethane-1,2-diamine

C9H13BrN4 — CID 63874009

IUPACN'-(5-bromopyrimidin-2-yl)-N'-cyclopropylethane-1,2-diamine
SMILESNCCN(c1ncc(Br)cn1)C1CC1
InChIInChI=1S/C9H13BrN4/c10-7-5-12-9(13-6-7)14(4-3-11)8-1-2-8/h5-6,8H,1-4,11H2
InChIKeyIRHSKMBMDXRPSD-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.17
Rot. Bonds4

About N'-(5-bromopyrimidin-2-yl)-N'-cyclopropylethane-1,2-diamine

N'-(5-bromopyrimidin-2-yl)-N'-cyclopropylethane-1,2-diamine (PubChem CID 63874009) has the molecular formula C9H13BrN4 and a molecular weight of 257.13 g/mol. Its IUPAC name is N'-(5-bromopyrimidin-2-yl)-N'-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-bromopyrimidin-2-yl)-N'-cyclopropylethane-1,2-diamine
PubChem CID63874009
Molecular FormulaC9H13BrN4
Molecular Weight257.13 g/mol
Exact Mass256.03
IUPAC NameN'-(5-bromopyrimidin-2-yl)-N'-cyclopropylethane-1,2-diamine
SMILESNCCN(c1ncc(Br)cn1)C1CC1
InChIInChI=1S/C9H13BrN4/c10-7-5-12-9(13-6-7)14(4-3-11)8-1-2-8/h5-6,8H,1-4,11H2
InChIKeyIRHSKMBMDXRPSD-UHFFFAOYSA-N
XLogP1.17
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromopyrimidin-2-yl)-cyclopropylamino]propanimidamide
CID 63873192
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylethane-1,2-diamine
CID 79717543
5-bromo-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine
CID 75508619
2-N-cyclopropyl-2-N-propylpyrimidine-2,5-diamine
CID 61147883
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-cyclobutylethane-1,2-diamine
CID 102874697
N'-cyclopentyl-N'-(5-iodopyrimidin-2-yl)propane-1,3-diamine
CID 116648233
N'-cyclopropyl-N'-(5-methoxy-2-pyridinyl)ethane-1,2-diamine
CID 83833825
N'-(5-bromopyrimidin-4-yl)-N'-cyclopropylpropane-1,3-diamine
CID 66340953
N'-(5-bromopyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494306
2-[(5-aminopyrimidin-2-yl)-cyclobutylamino]ethanol
CID 102859565
N'-cyclopropyl-N'-pyridin-4-ylethane-1,2-diamine
CID 63759399
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cyclopentylpropane-1,3-diamine
CID 106997331

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromopyrimidin-2-yl)-N'-cyclopropylethane-1,2-diamine?
The IUPAC name of N'-(5-bromopyrimidin-2-yl)-N'-cyclopropylethane-1,2-diamine (CID 63874009) is N'-(5-bromopyrimidin-2-yl)-N'-cyclopropylethane-1,2-diamine.
What is the SMILES notation for N'-(5-bromopyrimidin-2-yl)-N'-cyclopropylethane-1,2-diamine?
The canonical SMILES for N'-(5-bromopyrimidin-2-yl)-N'-cyclopropylethane-1,2-diamine is NCCN(c1ncc(Br)cn1)C1CC1.
What is the InChIKey of N'-(5-bromopyrimidin-2-yl)-N'-cyclopropylethane-1,2-diamine?
The InChIKey is IRHSKMBMDXRPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4/c10-7-5-12-9(13-6-7)14(4-3-11)8-1-2-8/h5-6,8H,1-4,11H2.
What are the key properties of N'-(5-bromopyrimidin-2-yl)-N'-cyclopropylethane-1,2-diamine?
N'-(5-bromopyrimidin-2-yl)-N'-cyclopropylethane-1,2-diamine has a molecular weight of 257.13 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromopyrimidin-2-yl)-N'-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 63874009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).