N-(5-bromopyrimidin-4-yl)-N'-cyclopropyl-N'-(2-methoxyethyl)ethane-1,2-diamine

C12H19BrN4O — CID 86779464

IUPACN-(5-bromopyrimidin-4-yl)-N'-cyclopropyl-N'-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCN(CCNc1ncncc1Br)C1CC1
InChIInChI=1S/C12H19BrN4O/c1-18-7-6-17(10-2-3-10)5-4-15-12-11(13)8-14-9-16-12/h8-10H,2-7H2,1H3,(H,14,15,16)
InChIKeyZDVYIPLHAMFZGL-UHFFFAOYSA-N
MW315.21 g/mol
LogP1.76
Rot. Bonds8

About N-(5-bromopyrimidin-4-yl)-N'-cyclopropyl-N'-(2-methoxyethyl)ethane-1,2-diamine

N-(5-bromopyrimidin-4-yl)-N'-cyclopropyl-N'-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 86779464) has the molecular formula C12H19BrN4O and a molecular weight of 315.21 g/mol. Its IUPAC name is N-(5-bromopyrimidin-4-yl)-N'-cyclopropyl-N'-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-bromopyrimidin-4-yl)-N'-cyclopropyl-N'-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID86779464
Molecular FormulaC12H19BrN4O
Molecular Weight315.21 g/mol
Exact Mass314.07
IUPAC NameN-(5-bromopyrimidin-4-yl)-N'-cyclopropyl-N'-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCN(CCNc1ncncc1Br)C1CC1
InChIInChI=1S/C12H19BrN4O/c1-18-7-6-17(10-2-3-10)5-4-15-12-11(13)8-14-9-16-12/h8-10H,2-7H2,1H3,(H,14,15,16)
InChIKeyZDVYIPLHAMFZGL-UHFFFAOYSA-N
XLogP1.76
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrimidin-4-yl)-N'-cyclopropyl-N'-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of N-(5-bromopyrimidin-4-yl)-N'-cyclopropyl-N'-(2-methoxyethyl)ethane-1,2-diamine (CID 86779464) is N-(5-bromopyrimidin-4-yl)-N'-cyclopropyl-N'-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(5-bromopyrimidin-4-yl)-N'-cyclopropyl-N'-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N-(5-bromopyrimidin-4-yl)-N'-cyclopropyl-N'-(2-methoxyethyl)ethane-1,2-diamine is COCCN(CCNc1ncncc1Br)C1CC1.
What is the InChIKey of N-(5-bromopyrimidin-4-yl)-N'-cyclopropyl-N'-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is ZDVYIPLHAMFZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-18-7-6-17(10-2-3-10)5-4-15-12-11(13)8-14-9-16-12/h8-10H,2-7H2,1H3,(H,14,15,16).
What are the key properties of N-(5-bromopyrimidin-4-yl)-N'-cyclopropyl-N'-(2-methoxyethyl)ethane-1,2-diamine?
N-(5-bromopyrimidin-4-yl)-N'-cyclopropyl-N'-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 315.21 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrimidin-4-yl)-N'-cyclopropyl-N'-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 86779464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).