6-[[6-(diethylamino)-3-pyridinyl]methylamino]-1-methylpyrimidine-2,4-dione

C15H21N5O2 — CID 154772539

IUPAC6-[[6-(diethylamino)-3-pyridinyl]methylamino]-1-methylpyrimidine-2,4-dione
SMILESCCN(CC)c1ccc(CNc2cc(=O)[nH]c(=O)n2C)cn1
InChIInChI=1S/C15H21N5O2/c1-4-20(5-2)12-7-6-11(9-16-12)10-17-13-8-14(21)18-15(22)19(13)3/h6-9,17H,4-5,10H2,1-3H3,(H,18,21,22)
InChIKeyIOMNBPBOEQBREZ-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.93
Rot. Bonds6

About 6-[[6-(diethylamino)-3-pyridinyl]methylamino]-1-methylpyrimidine-2,4-dione

6-[[6-(diethylamino)-3-pyridinyl]methylamino]-1-methylpyrimidine-2,4-dione (PubChem CID 154772539) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 6-[[6-(diethylamino)-3-pyridinyl]methylamino]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[6-(diethylamino)-3-pyridinyl]methylamino]-1-methylpyrimidine-2,4-dione
PubChem CID154772539
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name6-[[6-(diethylamino)-3-pyridinyl]methylamino]-1-methylpyrimidine-2,4-dione
SMILESCCN(CC)c1ccc(CNc2cc(=O)[nH]c(=O)n2C)cn1
InChIInChI=1S/C15H21N5O2/c1-4-20(5-2)12-7-6-11(9-16-12)10-17-13-8-14(21)18-15(22)19(13)3/h6-9,17H,4-5,10H2,1-3H3,(H,18,21,22)
InChIKeyIOMNBPBOEQBREZ-UHFFFAOYSA-N
XLogP0.93
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-(diethylamino)-3-pyridinyl]methylamino]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-[[6-(diethylamino)-3-pyridinyl]methylamino]-1-methylpyrimidine-2,4-dione (CID 154772539) is 6-[[6-(diethylamino)-3-pyridinyl]methylamino]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[6-(diethylamino)-3-pyridinyl]methylamino]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[6-(diethylamino)-3-pyridinyl]methylamino]-1-methylpyrimidine-2,4-dione is CCN(CC)c1ccc(CNc2cc(=O)[nH]c(=O)n2C)cn1.
What is the InChIKey of 6-[[6-(diethylamino)-3-pyridinyl]methylamino]-1-methylpyrimidine-2,4-dione?
The InChIKey is IOMNBPBOEQBREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-4-20(5-2)12-7-6-11(9-16-12)10-17-13-8-14(21)18-15(22)19(13)3/h6-9,17H,4-5,10H2,1-3H3,(H,18,21,22).
What are the key properties of 6-[[6-(diethylamino)-3-pyridinyl]methylamino]-1-methylpyrimidine-2,4-dione?
6-[[6-(diethylamino)-3-pyridinyl]methylamino]-1-methylpyrimidine-2,4-dione has a molecular weight of 303.37 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(diethylamino)-3-pyridinyl]methylamino]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 154772539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).