N'-cyclopropyl-N-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methylethane-1,2-diamine

C12H20N4O — CID 66325432

IUPACN'-cyclopropyl-N-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
SMILESCOc1ncnc(NCCN(C)C2CC2)c1C
InChIInChI=1S/C12H20N4O/c1-9-11(14-8-15-12(9)17-3)13-6-7-16(2)10-4-5-10/h8,10H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyXWSVTQONTHVUSV-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.30
Rot. Bonds6

About N'-cyclopropyl-N-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methylethane-1,2-diamine

N'-cyclopropyl-N-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methylethane-1,2-diamine (PubChem CID 66325432) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N'-cyclopropyl-N-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
PubChem CID66325432
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN'-cyclopropyl-N-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
SMILESCOc1ncnc(NCCN(C)C2CC2)c1C
InChIInChI=1S/C12H20N4O/c1-9-11(14-8-15-12(9)17-3)13-6-7-16(2)10-4-5-10/h8,10H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyXWSVTQONTHVUSV-UHFFFAOYSA-N
XLogP1.30
TPSA50.28 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 ≤ 51.30
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-methoxy-5-methylpyrimidin-4-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methylethane-1,2-diamine (CID 66325432) is N'-cyclopropyl-N-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methylethane-1,2-diamine is COc1ncnc(NCCN(C)C2CC2)c1C.
What is the InChIKey of N'-cyclopropyl-N-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methylethane-1,2-diamine?
The InChIKey is XWSVTQONTHVUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-11(14-8-15-12(9)17-3)13-6-7-16(2)10-4-5-10/h8,10H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of N'-cyclopropyl-N-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methylethane-1,2-diamine?
N'-cyclopropyl-N-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methylethane-1,2-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.30, 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-methoxy-5-methylpyrimidin-4-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 66325432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).