N'-cyclopropyl-N-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine

C12H20N4O2 — CID 115355111

IUPACN'-cyclopropyl-N-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
SMILESCOc1cc(OC)nc(NCCN(C)C2CC2)n1
InChIInChI=1S/C12H20N4O2/c1-16(9-4-5-9)7-6-13-12-14-10(17-2)8-11(15-12)18-3/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyKKXSSXUNKDQBFK-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.00
Rot. Bonds7

About N'-cyclopropyl-N-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine

N'-cyclopropyl-N-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 115355111) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N'-cyclopropyl-N-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
PubChem CID115355111
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN'-cyclopropyl-N-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
SMILESCOc1cc(OC)nc(NCCN(C)C2CC2)n1
InChIInChI=1S/C12H20N4O2/c1-16(9-4-5-9)7-6-13-12-14-10(17-2)8-11(15-12)18-3/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyKKXSSXUNKDQBFK-UHFFFAOYSA-N
XLogP1.00
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine (CID 115355111) is N'-cyclopropyl-N-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine is COc1cc(OC)nc(NCCN(C)C2CC2)n1.
What is the InChIKey of N'-cyclopropyl-N-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is KKXSSXUNKDQBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-16(9-4-5-9)7-6-13-12-14-10(17-2)8-11(15-12)18-3/h8-9H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of N'-cyclopropyl-N-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine?
N'-cyclopropyl-N-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 252.32 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 115355111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).