1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]urea

C16H27N5O2 — CID 164642374

IUPAC1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]urea
SMILESCc1ccc(NC(=O)NCCN2CCO[C@@H](C)C2)c(N(C)C)n1
InChIInChI=1S/C16H27N5O2/c1-12-5-6-14(15(18-12)20(3)4)19-16(22)17-7-8-21-9-10-23-13(2)11-21/h5-6,13H,7-11H2,1-4H3,(H2,17,19,22)/t13-/m0/s1
InChIKeyRGNKJQQAOKGQLM-ZDUSSCGKSA-N
MW321.43 g/mol
LogP1.30
Rot. Bonds5

About 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]urea

1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]urea (PubChem CID 164642374) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]urea
PubChem CID164642374
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]urea
SMILESCc1ccc(NC(=O)NCCN2CCO[C@@H](C)C2)c(N(C)C)n1
InChIInChI=1S/C16H27N5O2/c1-12-5-6-14(15(18-12)20(3)4)19-16(22)17-7-8-21-9-10-23-13(2)11-21/h5-6,13H,7-11H2,1-4H3,(H2,17,19,22)/t13-/m0/s1
InChIKeyRGNKJQQAOKGQLM-ZDUSSCGKSA-N
XLogP1.30
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]urea (CID 164642374) is 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]urea is Cc1ccc(NC(=O)NCCN2CCO[C@@H](C)C2)c(N(C)C)n1.
What is the InChIKey of 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]urea?
The InChIKey is RGNKJQQAOKGQLM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-12-5-6-14(15(18-12)20(3)4)19-16(22)17-7-8-21-9-10-23-13(2)11-21/h5-6,13H,7-11H2,1-4H3,(H2,17,19,22)/t13-/m0/s1.
What are the key properties of 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]urea?
1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]urea has a molecular weight of 321.43 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]urea is sourced from PubChem (CID 164642374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).