N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)-2-propan-2-ylpyrimidin-5-amine

C13H24N4O — CID 55059092

IUPACN-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)-2-propan-2-ylpyrimidin-5-amine
SMILESCNCc1nc(C(C)C)ncc1N(C)CCOC
InChIInChI=1S/C13H24N4O/c1-10(2)13-15-9-12(11(16-13)8-14-3)17(4)6-7-18-5/h9-10,14H,6-8H2,1-5H3
InChIKeyNBDXQGQKBDYCTD-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.40
Rot. Bonds7

About N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)-2-propan-2-ylpyrimidin-5-amine

N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)-2-propan-2-ylpyrimidin-5-amine (PubChem CID 55059092) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)-2-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)-2-propan-2-ylpyrimidin-5-amine
PubChem CID55059092
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)-2-propan-2-ylpyrimidin-5-amine
SMILESCNCc1nc(C(C)C)ncc1N(C)CCOC
InChIInChI=1S/C13H24N4O/c1-10(2)13-15-9-12(11(16-13)8-14-3)17(4)6-7-18-5/h9-10,14H,6-8H2,1-5H3
InChIKeyNBDXQGQKBDYCTD-UHFFFAOYSA-N
XLogP1.40
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)-2-propan-2-ylpyrimidin-5-amine?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)-2-propan-2-ylpyrimidin-5-amine (CID 55059092) is N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)-2-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)-2-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)-2-propan-2-ylpyrimidin-5-amine is CNCc1nc(C(C)C)ncc1N(C)CCOC.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)-2-propan-2-ylpyrimidin-5-amine?
The InChIKey is NBDXQGQKBDYCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)13-15-9-12(11(16-13)8-14-3)17(4)6-7-18-5/h9-10,14H,6-8H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)-2-propan-2-ylpyrimidin-5-amine?
N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)-2-propan-2-ylpyrimidin-5-amine has a molecular weight of 252.36 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)-2-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 55059092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).