N'-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine

C12H22N4O — CID 66326747

IUPACN'-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCOc1ncnc(N(C)CCNC(C)C)c1C
InChIInChI=1S/C12H22N4O/c1-9(2)13-6-7-16(4)11-10(3)12(17-5)15-8-14-11/h8-9,13H,6-7H2,1-5H3
InChIKeyPWBVUFMWIQEBPI-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.23
Rot. Bonds6

About N'-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine

N'-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 66326747) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
PubChem CID66326747
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN'-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCOc1ncnc(N(C)CCNC(C)C)c1C
InChIInChI=1S/C12H22N4O/c1-9(2)13-6-7-16(4)11-10(3)12(17-5)15-8-14-11/h8-9,13H,6-7H2,1-5H3
InChIKeyPWBVUFMWIQEBPI-UHFFFAOYSA-N
XLogP1.23
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine (CID 66326747) is N'-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine is COc1ncnc(N(C)CCNC(C)C)c1C.
What is the InChIKey of N'-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is PWBVUFMWIQEBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(2)13-6-7-16(4)11-10(3)12(17-5)15-8-14-11/h8-9,13H,6-7H2,1-5H3.
What are the key properties of N'-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
N'-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 66326747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).