4-[6-(ethylamino)-5-propylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one

C15H25N5O — CID 102887860

IUPAC4-[6-(ethylamino)-5-propylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
SMILESCCCc1c(NCC)ncnc1N1CCCN(C)C(=O)C1
InChIInChI=1S/C15H25N5O/c1-4-7-12-14(16-5-2)17-11-18-15(12)20-9-6-8-19(3)13(21)10-20/h11H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyUPKAMGIVBODTIE-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.53
Rot. Bonds5

About 4-[6-(ethylamino)-5-propylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one

4-[6-(ethylamino)-5-propylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one (PubChem CID 102887860) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-[6-(ethylamino)-5-propylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[6-(ethylamino)-5-propylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
PubChem CID102887860
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name4-[6-(ethylamino)-5-propylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
SMILESCCCc1c(NCC)ncnc1N1CCCN(C)C(=O)C1
InChIInChI=1S/C15H25N5O/c1-4-7-12-14(16-5-2)17-11-18-15(12)20-9-6-8-19(3)13(21)10-20/h11H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyUPKAMGIVBODTIE-UHFFFAOYSA-N
XLogP1.53
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(ethylamino)-5-propylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-[6-(ethylamino)-5-propylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one (CID 102887860) is 4-[6-(ethylamino)-5-propylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-[6-(ethylamino)-5-propylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-[6-(ethylamino)-5-propylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one is CCCc1c(NCC)ncnc1N1CCCN(C)C(=O)C1.
What is the InChIKey of 4-[6-(ethylamino)-5-propylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one?
The InChIKey is UPKAMGIVBODTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-4-7-12-14(16-5-2)17-11-18-15(12)20-9-6-8-19(3)13(21)10-20/h11H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of 4-[6-(ethylamino)-5-propylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one?
4-[6-(ethylamino)-5-propylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one has a molecular weight of 291.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(ethylamino)-5-propylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102887860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).