6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine

C13H23N3O — CID 80987958

IUPAC6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(OC(C)CC)c1C
InChIInChI=1S/C13H23N3O/c1-6-9(4)17-13-10(5)12(14-8-3)15-11(7-2)16-13/h9H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyLIQSKVRXQYELQU-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.96
Rot. Bonds6

About 6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine

6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine (PubChem CID 80987958) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine
PubChem CID80987958
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(OC(C)CC)c1C
InChIInChI=1S/C13H23N3O/c1-6-9(4)17-13-10(5)12(14-8-3)15-11(7-2)16-13/h9H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyLIQSKVRXQYELQU-UHFFFAOYSA-N
XLogP2.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-methyl-6-propan-2-yloxy-N-propylpyrimidin-4-amine
CID 80989070
N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80989328
2-ethyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80988466
N,2-diethyl-5-methyl-6-prop-2-enoxypyrimidin-4-amine
CID 80988312
6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989417
5-methyl-6-pentan-2-yloxy-N,2-dipropylpyrimidin-4-amine
CID 102989455
6-(3,5-dimethylphenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989084
2-ethyl-N,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80990397
5-methyl-6-(4-methylpentan-2-yloxy)-N,2-dipropylpyrimidin-4-amine
CID 80989176
6-N,2-diethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine
CID 80982661
N,2-diethyl-5-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
CID 80989859
6-butan-2-yloxy-2-tert-butyl-5-methyl-N-propylpyrimidin-4-amine
CID 80988066

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine (CID 80987958) is 6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine is CCNc1nc(CC)nc(OC(C)CC)c1C.
What is the InChIKey of 6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine?
The InChIKey is LIQSKVRXQYELQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-9(4)17-13-10(5)12(14-8-3)15-11(7-2)16-13/h9H,6-8H2,1-5H3,(H,14,15,16).
What are the key properties of 6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine?
6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.96, 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-N,2-diethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80987958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).