6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine

C12H21N3O — CID 80866287

IUPAC6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OC(C)CC)c1C
InChIInChI=1S/C12H21N3O/c1-5-7-13-11-10(4)12(15-8-14-11)16-9(3)6-2/h8-9H,5-7H2,1-4H3,(H,13,14,15)
InChIKeySIOSZRMAUKNHMP-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.78
Rot. Bonds6

About 6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine

6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine (PubChem CID 80866287) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine
PubChem CID80866287
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OC(C)CC)c1C
InChIInChI=1S/C12H21N3O/c1-5-7-13-11-10(4)12(15-8-14-11)16-9(3)6-2/h8-9H,5-7H2,1-4H3,(H,13,14,15)
InChIKeySIOSZRMAUKNHMP-UHFFFAOYSA-N
XLogP2.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80860590
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
5-methyl-6-pentoxy-N-propylpyrimidin-4-amine
CID 80866591
5-methyl-6-[2-(2-methylpropoxy)ethoxy]-N-propylpyrimidin-4-amine
CID 106451474
6-butan-2-yloxy-2-tert-butyl-5-methyl-N-propylpyrimidin-4-amine
CID 80988066
6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 102989487
4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80765737
6-(3-methylbutan-2-yloxy)-N,5-dipropylpyrimidin-4-amine
CID 80882614
6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80869942
5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine
CID 80866037
6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80864667
5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148658

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine (CID 80866287) is 6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine is CCCNc1ncnc(OC(C)CC)c1C.
What is the InChIKey of 6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine?
The InChIKey is SIOSZRMAUKNHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-7-13-11-10(4)12(15-8-14-11)16-9(3)6-2/h8-9H,5-7H2,1-4H3,(H,13,14,15).
What are the key properties of 6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine?
6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80866287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).