4-[2-(dimethylamino)ethoxy]-5-methyl-N-propylpyrimidin-2-amine

C12H22N4O — CID 80871082

IUPAC4-[2-(dimethylamino)ethoxy]-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(OCCN(C)C)n1
InChIInChI=1S/C12H22N4O/c1-5-6-13-12-14-9-10(2)11(15-12)17-8-7-16(3)4/h9H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyFGFMHUMYRABUSI-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.55
Rot. Bonds7

About 4-[2-(dimethylamino)ethoxy]-5-methyl-N-propylpyrimidin-2-amine

4-[2-(dimethylamino)ethoxy]-5-methyl-N-propylpyrimidin-2-amine (PubChem CID 80871082) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-5-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-5-methyl-N-propylpyrimidin-2-amine
PubChem CID80871082
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-[2-(dimethylamino)ethoxy]-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(OCCN(C)C)n1
InChIInChI=1S/C12H22N4O/c1-5-6-13-12-14-9-10(2)11(15-12)17-8-7-16(3)4/h9H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyFGFMHUMYRABUSI-UHFFFAOYSA-N
XLogP1.55
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-butoxy-5-methyl-N-propylpyrimidin-2-amine
CID 80867481
4-[2-[di(propan-2-yl)amino]ethoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 115506001
4-[2-(2-methoxyethoxy)ethoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 104568288
4-N-[2-(dimethylamino)ethyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80845865
4-N-[3-(dimethylamino)propyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80845968
5-methyl-N-propyl-4-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine
CID 80868216
5-bromo-4-propoxy-N-propylpyrimidin-2-amine
CID 80865318
4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 80879562
2-[2-(ethylamino)-5-methylpyrimidin-4-yl]oxyethanol
CID 80859751
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80832239
4-[(2-bromophenyl)methoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 82826084
4-(1-ethylpyrazol-4-yl)oxy-5-methyl-N-propylpyrimidin-2-amine
CID 116806089

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-5-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-5-methyl-N-propylpyrimidin-2-amine (CID 80871082) is 4-[2-(dimethylamino)ethoxy]-5-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-5-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-5-methyl-N-propylpyrimidin-2-amine is CCCNc1ncc(C)c(OCCN(C)C)n1.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-5-methyl-N-propylpyrimidin-2-amine?
The InChIKey is FGFMHUMYRABUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-6-13-12-14-9-10(2)11(15-12)17-8-7-16(3)4/h9H,5-8H2,1-4H3,(H,13,14,15).
What are the key properties of 4-[2-(dimethylamino)ethoxy]-5-methyl-N-propylpyrimidin-2-amine?
4-[2-(dimethylamino)ethoxy]-5-methyl-N-propylpyrimidin-2-amine has a molecular weight of 238.33 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-5-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80871082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).