N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

C18H30N6O2 — CID 51114092

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCC1CN(C(C)CNC(=O)N2CCN(c3ncccn3)CC2)CC(C)O1
InChIInChI=1S/C18H30N6O2/c1-14(24-12-15(2)26-16(3)13-24)11-21-18(25)23-9-7-22(8-10-23)17-19-5-4-6-20-17/h4-6,14-16H,7-13H2,1-3H3,(H,21,25)
InChIKeyVKMGOJPDLGYVRD-UHFFFAOYSA-N
MW362.48 g/mol
LogP0.81
Rot. Bonds4

About N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 51114092) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID51114092
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCC1CN(C(C)CNC(=O)N2CCN(c3ncccn3)CC2)CC(C)O1
InChIInChI=1S/C18H30N6O2/c1-14(24-12-15(2)26-16(3)13-24)11-21-18(25)23-9-7-22(8-10-23)17-19-5-4-6-20-17/h4-6,14-16H,7-13H2,1-3H3,(H,21,25)
InChIKeyVKMGOJPDLGYVRD-UHFFFAOYSA-N
XLogP0.81
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 98718256
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 94030354
N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-2-carboxamide
CID 98718393
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 47027634
N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 98718599
1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea
CID 124736359
N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207593
N-[2-(4-methylpiperidin-1-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 60597960
1-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 98718274
N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108912953
2-cyclopentylsulfanyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-3-carboxamide
CID 94647153
5-acetyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]thiophene-2-carboxamide
CID 94022762

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 51114092) is N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is CC1CN(C(C)CNC(=O)N2CCN(c3ncccn3)CC2)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is VKMGOJPDLGYVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-14(24-12-15(2)26-16(3)13-24)11-21-18(25)23-9-7-22(8-10-23)17-19-5-4-6-20-17/h4-6,14-16H,7-13H2,1-3H3,(H,21,25).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 51114092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).