N-cyclopropyl-N'-methyl-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine

C11H18N4 — CID 62770071

IUPACN-cyclopropyl-N'-methyl-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCc1nccc(N(C)CCNC2CC2)n1
InChIInChI=1S/C11H18N4/c1-9-12-6-5-11(14-9)15(2)8-7-13-10-3-4-10/h5-6,10,13H,3-4,7-8H2,1-2H3
InChIKeyIRRAUSDBWSCWEL-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.97
Rot. Bonds5

About N-cyclopropyl-N'-methyl-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine

N-cyclopropyl-N'-methyl-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 62770071) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
PubChem CID62770071
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC NameN-cyclopropyl-N'-methyl-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCc1nccc(N(C)CCNC2CC2)n1
InChIInChI=1S/C11H18N4/c1-9-12-6-5-11(14-9)15(2)8-7-13-10-3-4-10/h5-6,10,13H,3-4,7-8H2,1-2H3
InChIKeyIRRAUSDBWSCWEL-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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Related Compounds

4-N-methyl-4-N-(2-methylpyrimidin-4-yl)-1-N-propylcyclohexane-1,4-diamine
CID 79122066
N-(2-methoxyethyl)-N'-methyl-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 62769885
N-cyclopropyl-N'-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639126
N-cyclopropyl-N'-methyl-N'-(5-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 63206209
4-[2-(cyclopropylamino)ethyl-methylamino]-2-methyl-1H-pyrimidin-6-one
CID 137008098
N-cyclobutyl-N,2-dimethylpyrimidin-4-amine
CID 126855791
N-cyclopropyl-N'-methyl-N'-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 115206920
4-[methyl-(2-methylpyrimidin-4-yl)amino]butanoic acid
CID 55211095
N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)-N'-methylethane-1,2-diamine
CID 106542318
N-(azetidin-3-yl)-N,2-dimethylpyrimidin-4-amine
CID 66182049
N-cyclopropyl-N'-methyl-N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65280282
N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methyl-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-methyl-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine (CID 62770071) is N-cyclopropyl-N'-methyl-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-methyl-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-methyl-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine is Cc1nccc(N(C)CCNC2CC2)n1.
What is the InChIKey of N-cyclopropyl-N'-methyl-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is IRRAUSDBWSCWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-9-12-6-5-11(14-9)15(2)8-7-13-10-3-4-10/h5-6,10,13H,3-4,7-8H2,1-2H3.
What are the key properties of N-cyclopropyl-N'-methyl-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine?
N-cyclopropyl-N'-methyl-N'-(2-methylpyrimidin-4-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'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 62770071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).