N-cyclopropyl-N'-methyl-N'-(5-methylpyrimidin-2-yl)ethane-1,2-diamine

C11H18N4 — CID 63206209

IUPACN-cyclopropyl-N'-methyl-N'-(5-methylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCc1cnc(N(C)CCNC2CC2)nc1
InChIInChI=1S/C11H18N4/c1-9-7-13-11(14-8-9)15(2)6-5-12-10-3-4-10/h7-8,10,12H,3-6H2,1-2H3
InChIKeyPBPLYBKQYJJTBN-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.97
Rot. Bonds5

About N-cyclopropyl-N'-methyl-N'-(5-methylpyrimidin-2-yl)ethane-1,2-diamine

N-cyclopropyl-N'-methyl-N'-(5-methylpyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 63206209) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-N'-(5-methylpyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-N'-(5-methylpyrimidin-2-yl)ethane-1,2-diamine
PubChem CID63206209
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC NameN-cyclopropyl-N'-methyl-N'-(5-methylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCc1cnc(N(C)CCNC2CC2)nc1
InChIInChI=1S/C11H18N4/c1-9-7-13-11(14-8-9)15(2)6-5-12-10-3-4-10/h7-8,10,12H,3-6H2,1-2H3
InChIKeyPBPLYBKQYJJTBN-UHFFFAOYSA-N
XLogP0.97
TPSA41.05 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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methyl-N'-(5-methylpyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-methyl-N'-(5-methylpyrimidin-2-yl)ethane-1,2-diamine (CID 63206209) is N-cyclopropyl-N'-methyl-N'-(5-methylpyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-methyl-N'-(5-methylpyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-methyl-N'-(5-methylpyrimidin-2-yl)ethane-1,2-diamine is Cc1cnc(N(C)CCNC2CC2)nc1.
What is the InChIKey of N-cyclopropyl-N'-methyl-N'-(5-methylpyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is PBPLYBKQYJJTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-9-7-13-11(14-8-9)15(2)6-5-12-10-3-4-10/h7-8,10,12H,3-6H2,1-2H3.
What are the key properties of N-cyclopropyl-N'-methyl-N'-(5-methylpyrimidin-2-yl)ethane-1,2-diamine?
N-cyclopropyl-N'-methyl-N'-(5-methylpyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 206.29 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-methyl-N'-(5-methylpyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 63206209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).