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

C13H22N4O — CID 112639126

IUPACN-cyclopropyl-N'-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
SMILESCC(C)Oc1ccnc(N(C)CCNC2CC2)n1
InChIInChI=1S/C13H22N4O/c1-10(2)18-12-6-7-15-13(16-12)17(3)9-8-14-11-4-5-11/h6-7,10-11,14H,4-5,8-9H2,1-3H3
InChIKeyULKDWQCKQZTDAP-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.45
Rot. Bonds7

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

N-cyclopropyl-N'-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 112639126) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
PubChem CID112639126
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-cyclopropyl-N'-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
SMILESCC(C)Oc1ccnc(N(C)CCNC2CC2)n1
InChIInChI=1S/C13H22N4O/c1-10(2)18-12-6-7-15-13(16-12)17(3)9-8-14-11-4-5-11/h6-7,10-11,14H,4-5,8-9H2,1-3H3
InChIKeyULKDWQCKQZTDAP-UHFFFAOYSA-N
XLogP1.45
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(4-methoxypyrimidin-2-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 62586031
N-cyclopropyl-N'-methyl-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 62770071
N-cyclopropyl-N'-methyl-N'-(5-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 63206209
1-cyclopropyl-N-methyl-N-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
CID 116653334
N-(2-chloroethyl)-N-cyclohexyl-4-propan-2-yloxypyrimidin-2-amine
CID 115975672
N-[[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 115975643
N,N'-diethyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639135
N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)-N'-methylethane-1,2-diamine
CID 106542318
N-[2-(4-methylcyclohexyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975097
N-(2-methyloxan-4-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 114108395
4-N-ethyl-4-N-(4-propan-2-yloxypyrimidin-2-yl)cyclohexane-1,4-diamine
CID 115975439
N'-(4-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 62554132

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine (CID 112639126) is N-cyclopropyl-N'-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine is CC(C)Oc1ccnc(N(C)CCNC2CC2)n1.
What is the InChIKey of N-cyclopropyl-N'-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is ULKDWQCKQZTDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)18-12-6-7-15-13(16-12)17(3)9-8-14-11-4-5-11/h6-7,10-11,14H,4-5,8-9H2,1-3H3.
What are the key properties of N-cyclopropyl-N'-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine?
N-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 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 112639126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).