N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine

C14H23BrN4 — CID 114133171

IUPACN-(6-bromo-2-cyclopropylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNc1cc(Br)nc(C2CC2)n1
InChIInChI=1S/C14H23BrN4/c1-3-8-19(4-2)9-7-16-13-10-12(15)17-14(18-13)11-5-6-11/h10-11H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyHPFDCVITPKNXBE-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.26
Rot. Bonds8

About N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine

N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine (PubChem CID 114133171) has the molecular formula C14H23BrN4 and a molecular weight of 327.27 g/mol. Its IUPAC name is N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-bromo-2-cyclopropylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
PubChem CID114133171
Molecular FormulaC14H23BrN4
Molecular Weight327.27 g/mol
Exact Mass326.11
IUPAC NameN-(6-bromo-2-cyclopropylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNc1cc(Br)nc(C2CC2)n1
InChIInChI=1S/C14H23BrN4/c1-3-8-19(4-2)9-7-16-13-10-12(15)17-14(18-13)11-5-6-11/h10-11H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyHPFDCVITPKNXBE-UHFFFAOYSA-N
XLogP3.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine (CID 114133171) is N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine is CCCN(CC)CCNc1cc(Br)nc(C2CC2)n1.
What is the InChIKey of N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
The InChIKey is HPFDCVITPKNXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4/c1-3-8-19(4-2)9-7-16-13-10-12(15)17-14(18-13)11-5-6-11/h10-11H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine has a molecular weight of 327.27 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 114133171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).