N'-cyclopropyl-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine

C11H18N4 — CID 62785297

IUPACN'-cyclopropyl-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine
SMILESCc1nccc(N(CCCN)C2CC2)n1
InChIInChI=1S/C11H18N4/c1-9-13-7-5-11(14-9)15(8-2-6-12)10-3-4-10/h5,7,10H,2-4,6,8,12H2,1H3
InChIKeyKJHZEYUFUVTBJF-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.10
Rot. Bonds5

About N'-cyclopropyl-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine

N'-cyclopropyl-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine (PubChem CID 62785297) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine
PubChem CID62785297
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC NameN'-cyclopropyl-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine
SMILESCc1nccc(N(CCCN)C2CC2)n1
InChIInChI=1S/C11H18N4/c1-9-13-7-5-11(14-9)15(8-2-6-12)10-3-4-10/h5,7,10H,2-4,6,8,12H2,1H3
InChIKeyKJHZEYUFUVTBJF-UHFFFAOYSA-N
XLogP1.10
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine (CID 62785297) is N'-cyclopropyl-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine is Cc1nccc(N(CCCN)C2CC2)n1.
What is the InChIKey of N'-cyclopropyl-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is KJHZEYUFUVTBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-9-13-7-5-11(14-9)15(8-2-6-12)10-3-4-10/h5,7,10H,2-4,6,8,12H2,1H3.
What are the key properties of N'-cyclopropyl-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine?
N'-cyclopropyl-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 62785297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).