3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol

C16H30N4O — CID 106198617

IUPAC3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
SMILESCCCc1nc(NCC)c(C)c(NC(C)(C)C(C)(C)O)n1
InChIInChI=1S/C16H30N4O/c1-8-10-12-18-13(17-9-2)11(3)14(19-12)20-15(4,5)16(6,7)21/h21H,8-10H2,1-7H3,(H2,17,18,19,20)
InChIKeyFERLAOYRAMOCEQ-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.13
Rot. Bonds7

About 3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol

3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol (PubChem CID 106198617) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
PubChem CID106198617
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
SMILESCCCc1nc(NCC)c(C)c(NC(C)(C)C(C)(C)O)n1
InChIInChI=1S/C16H30N4O/c1-8-10-12-18-13(17-9-2)11(3)14(19-12)20-15(4,5)16(6,7)21/h21H,8-10H2,1-7H3,(H2,17,18,19,20)
InChIKeyFERLAOYRAMOCEQ-UHFFFAOYSA-N
XLogP3.13
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol (CID 106198617) is 3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol is CCCc1nc(NCC)c(C)c(NC(C)(C)C(C)(C)O)n1.
What is the InChIKey of 3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol?
The InChIKey is FERLAOYRAMOCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-8-10-12-18-13(17-9-2)11(3)14(19-12)20-15(4,5)16(6,7)21/h21H,8-10H2,1-7H3,(H2,17,18,19,20).
What are the key properties of 3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol?
3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol has a molecular weight of 294.44 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106198617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).