N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-amine

C16H23N5O — CID 133431338

IUPACN-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NCc2ccnc(OCCN(C)C)c2)n1
InChIInChI=1S/C16H23N5O/c1-12-9-13(2)20-16(19-12)18-11-14-5-6-17-15(10-14)22-8-7-21(3)4/h5-6,9-10H,7-8,11H2,1-4H3,(H,18,19,20)
InChIKeyMCIQFMYBOZICHD-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.04
Rot. Bonds7

About N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-amine

N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 133431338) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID133431338
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NCc2ccnc(OCCN(C)C)c2)n1
InChIInChI=1S/C16H23N5O/c1-12-9-13(2)20-16(19-12)18-11-14-5-6-17-15(10-14)22-8-7-21(3)4/h5-6,9-10H,7-8,11H2,1-4H3,(H,18,19,20)
InChIKeyMCIQFMYBOZICHD-UHFFFAOYSA-N
XLogP2.04
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-amine (CID 133431338) is N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(NCc2ccnc(OCCN(C)C)c2)n1.
What is the InChIKey of N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is MCIQFMYBOZICHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12-9-13(2)20-16(19-12)18-11-14-5-6-17-15(10-14)22-8-7-21(3)4/h5-6,9-10H,7-8,11H2,1-4H3,(H,18,19,20).
What are the key properties of N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-amine?
N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 301.39 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 133431338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).