N'-cyclopropyl-N'-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine

C12H20N4O — CID 66333463

IUPACN'-cyclopropyl-N'-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
SMILESCC(C)Oc1cc(N(CCN)C2CC2)ncn1
InChIInChI=1S/C12H20N4O/c1-9(2)17-12-7-11(14-8-15-12)16(6-5-13)10-3-4-10/h7-10H,3-6,13H2,1-2H3
InChIKeyLBOOUGCYHYETCK-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.19
Rot. Bonds6

About N'-cyclopropyl-N'-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine

N'-cyclopropyl-N'-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 66333463) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
PubChem CID66333463
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN'-cyclopropyl-N'-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
SMILESCC(C)Oc1cc(N(CCN)C2CC2)ncn1
InChIInChI=1S/C12H20N4O/c1-9(2)17-12-7-11(14-8-15-12)16(6-5-13)10-3-4-10/h7-10H,3-6,13H2,1-2H3
InChIKeyLBOOUGCYHYETCK-UHFFFAOYSA-N
XLogP1.19
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine (CID 66333463) is N'-cyclopropyl-N'-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine is CC(C)Oc1cc(N(CCN)C2CC2)ncn1.
What is the InChIKey of N'-cyclopropyl-N'-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is LBOOUGCYHYETCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(2)17-12-7-11(14-8-15-12)16(6-5-13)10-3-4-10/h7-10H,3-6,13H2,1-2H3.
What are the key properties of N'-cyclopropyl-N'-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine?
N'-cyclopropyl-N'-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66333463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).