N-methyl-6-(3-methylbutoxy)-5-propylpyrimidin-4-amine

C13H23N3O — CID 80858342

IUPACN-methyl-6-(3-methylbutoxy)-5-propylpyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1OCCC(C)C
InChIInChI=1S/C13H23N3O/c1-5-6-11-12(14-4)15-9-16-13(11)17-8-7-10(2)3/h9-10H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyRUXZWTMITVBTSL-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.90
Rot. Bonds7

About N-methyl-6-(3-methylbutoxy)-5-propylpyrimidin-4-amine

N-methyl-6-(3-methylbutoxy)-5-propylpyrimidin-4-amine (PubChem CID 80858342) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-methyl-6-(3-methylbutoxy)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(3-methylbutoxy)-5-propylpyrimidin-4-amine
PubChem CID80858342
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-methyl-6-(3-methylbutoxy)-5-propylpyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1OCCC(C)C
InChIInChI=1S/C13H23N3O/c1-5-6-11-12(14-4)15-9-16-13(11)17-8-7-10(2)3/h9-10H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyRUXZWTMITVBTSL-UHFFFAOYSA-N
XLogP2.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-heptoxy-N-methyl-5-propylpyrimidin-4-amine
CID 80861395
N-methyl-6-(2-propoxyethoxy)-5-propylpyrimidin-4-amine
CID 80876335
4-chloro-6-(3-methylbutoxy)-5-propylpyrimidine
CID 63733980
N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine
CID 112590923
6-[2-(diethylamino)ethoxy]-N-methyl-5-propylpyrimidin-4-amine
CID 80871006
6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
CID 80831818
N-methyl-6-octan-2-yloxy-5-propylpyrimidin-4-amine
CID 80862141
6-N-methyl-4-N-(5-methylhexan-2-yl)-5-propylpyrimidine-4,6-diamine
CID 80839230
6-but-3-yn-2-yloxy-N-methyl-5-propylpyrimidin-4-amine
CID 106795427
N-methyl-6-(2-piperidin-1-ylethoxy)-5-propylpyrimidin-4-amine
CID 80870502
6-butoxy-5-ethyl-N-methylpyrimidin-4-amine
CID 80866739
N-methyl-6-(3-methylbutoxy)-5-nitropyrimidin-4-amine
CID 80858601

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(3-methylbutoxy)-5-propylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-(3-methylbutoxy)-5-propylpyrimidin-4-amine (CID 80858342) is N-methyl-6-(3-methylbutoxy)-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(3-methylbutoxy)-5-propylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(3-methylbutoxy)-5-propylpyrimidin-4-amine is CCCc1c(NC)ncnc1OCCC(C)C.
What is the InChIKey of N-methyl-6-(3-methylbutoxy)-5-propylpyrimidin-4-amine?
The InChIKey is RUXZWTMITVBTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-6-11-12(14-4)15-9-16-13(11)17-8-7-10(2)3/h9-10H,5-8H2,1-4H3,(H,14,15,16).
What are the key properties of N-methyl-6-(3-methylbutoxy)-5-propylpyrimidin-4-amine?
N-methyl-6-(3-methylbutoxy)-5-propylpyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(3-methylbutoxy)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80858342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).