N,N-diethyl-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine

C12H22N4 — CID 83186097

IUPACN,N-diethyl-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine
SMILESCCNCc1cnc(N(CC)CC)nc1C
InChIInChI=1S/C12H22N4/c1-5-13-8-11-9-14-12(15-10(11)4)16(6-2)7-3/h9,13H,5-8H2,1-4H3
InChIKeyQTOSWNKQUMZYLJ-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.74
Rot. Bonds6

About N,N-diethyl-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine

N,N-diethyl-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine (PubChem CID 83186097) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N,N-diethyl-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine
PubChem CID83186097
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN,N-diethyl-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine
SMILESCCNCc1cnc(N(CC)CC)nc1C
InChIInChI=1S/C12H22N4/c1-5-13-8-11-9-14-12(15-10(11)4)16(6-2)7-3/h9,13H,5-8H2,1-4H3
InChIKeyQTOSWNKQUMZYLJ-UHFFFAOYSA-N
XLogP1.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine?
The IUPAC name of N,N-diethyl-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine (CID 83186097) is N,N-diethyl-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for N,N-diethyl-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine?
The canonical SMILES for N,N-diethyl-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine is CCNCc1cnc(N(CC)CC)nc1C.
What is the InChIKey of N,N-diethyl-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine?
The InChIKey is QTOSWNKQUMZYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-13-8-11-9-14-12(15-10(11)4)16(6-2)7-3/h9,13H,5-8H2,1-4H3.
What are the key properties of N,N-diethyl-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine?
N,N-diethyl-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine has a molecular weight of 222.34 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 83186097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).