N'-(4-cyclopropyl-6-methylpyrimidin-2-yl)-N'-methylpropane-1,3-diamine

C12H20N4 — CID 83837979

IUPACN'-(4-cyclopropyl-6-methylpyrimidin-2-yl)-N'-methylpropane-1,3-diamine
SMILESCc1cc(C2CC2)nc(N(C)CCCN)n1
InChIInChI=1S/C12H20N4/c1-9-8-11(10-4-5-10)15-12(14-9)16(2)7-3-6-13/h8,10H,3-7,13H2,1-2H3
InChIKeyLSYOPOIAXCNOEB-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.45
Rot. Bonds5

About N'-(4-cyclopropyl-6-methylpyrimidin-2-yl)-N'-methylpropane-1,3-diamine

N'-(4-cyclopropyl-6-methylpyrimidin-2-yl)-N'-methylpropane-1,3-diamine (PubChem CID 83837979) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N'-(4-cyclopropyl-6-methylpyrimidin-2-yl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-cyclopropyl-6-methylpyrimidin-2-yl)-N'-methylpropane-1,3-diamine
PubChem CID83837979
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN'-(4-cyclopropyl-6-methylpyrimidin-2-yl)-N'-methylpropane-1,3-diamine
SMILESCc1cc(C2CC2)nc(N(C)CCCN)n1
InChIInChI=1S/C12H20N4/c1-9-8-11(10-4-5-10)15-12(14-9)16(2)7-3-6-13/h8,10H,3-7,13H2,1-2H3
InChIKeyLSYOPOIAXCNOEB-UHFFFAOYSA-N
XLogP1.45
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(4-cyclopropyl-6-methylpyrimidin-2-yl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(4-cyclopropyl-6-methylpyrimidin-2-yl)-N'-methylpropane-1,3-diamine (CID 83837979) is N'-(4-cyclopropyl-6-methylpyrimidin-2-yl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-cyclopropyl-6-methylpyrimidin-2-yl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(4-cyclopropyl-6-methylpyrimidin-2-yl)-N'-methylpropane-1,3-diamine is Cc1cc(C2CC2)nc(N(C)CCCN)n1.
What is the InChIKey of N'-(4-cyclopropyl-6-methylpyrimidin-2-yl)-N'-methylpropane-1,3-diamine?
The InChIKey is LSYOPOIAXCNOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9-8-11(10-4-5-10)15-12(14-9)16(2)7-3-6-13/h8,10H,3-7,13H2,1-2H3.
What are the key properties of N'-(4-cyclopropyl-6-methylpyrimidin-2-yl)-N'-methylpropane-1,3-diamine?
N'-(4-cyclopropyl-6-methylpyrimidin-2-yl)-N'-methylpropane-1,3-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyclopropyl-6-methylpyrimidin-2-yl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 83837979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).