1-cyclopropyl-N-methyl-N-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine

C13H22N4O — CID 116653334

IUPAC1-cyclopropyl-N-methyl-N-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
SMILESCC(C)Oc1ccnc(N(C)C(CN)C2CC2)n1
InChIInChI=1S/C13H22N4O/c1-9(2)18-12-6-7-15-13(16-12)17(3)11(8-14)10-4-5-10/h6-7,9-11H,4-5,8,14H2,1-3H3
InChIKeyAZDVTNZNKHKBCQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.44
Rot. Bonds6

About 1-cyclopropyl-N-methyl-N-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine

1-cyclopropyl-N-methyl-N-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 116653334) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
PubChem CID116653334
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-cyclopropyl-N-methyl-N-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
SMILESCC(C)Oc1ccnc(N(C)C(CN)C2CC2)n1
InChIInChI=1S/C13H22N4O/c1-9(2)18-12-6-7-15-13(16-12)17(3)11(8-14)10-4-5-10/h6-7,9-11H,4-5,8,14H2,1-3H3
InChIKeyAZDVTNZNKHKBCQ-UHFFFAOYSA-N
XLogP1.44
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-methyl-N-quinazolin-2-ylethane-1,2-diamine
CID 114789555
1-cyclopropyl-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine
CID 116653264
2-N-(4-ethoxypyrimidin-2-yl)-2-N-methylpropane-1,2-diamine
CID 104556767
4-N-ethyl-4-N-(4-propan-2-yloxypyrimidin-2-yl)cyclohexane-1,4-diamine
CID 115975439
N-cyclopropyl-N'-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639126
N'-propan-2-yl-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine
CID 112636280
N-(2-chloroethyl)-N-cyclohexyl-4-propan-2-yloxypyrimidin-2-amine
CID 115975672
N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112638038
1-cyclopropyl-N-(6-methoxypyrazin-2-yl)-N-methylethane-1,2-diamine
CID 116653172
N'-(4-propan-2-yloxypyrimidin-2-yl)-N'-propylpropane-1,3-diamine
CID 112636277
1-cyclopropyl-N-methyl-N-pyridazin-3-ylethane-1,2-diamine
CID 116653423
N-[[2-(aminomethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975730

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine (CID 116653334) is 1-cyclopropyl-N-methyl-N-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine is CC(C)Oc1ccnc(N(C)C(CN)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is AZDVTNZNKHKBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)18-12-6-7-15-13(16-12)17(3)11(8-14)10-4-5-10/h6-7,9-11H,4-5,8,14H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine?
1-cyclopropyl-N-methyl-N-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 116653334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).