N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide

C18H29N5O3 — CID 70778335

IUPACN-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide
SMILESCC(C)N1CCOC(CC(=O)NCc2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C18H29N5O3/c1-14(2)23-5-8-26-16(12-23)10-18(24)19-11-15-9-17(21-13-20-15)22-3-6-25-7-4-22/h9,13-14,16H,3-8,10-12H2,1-2H3,(H,19,24)
InChIKeyQHJYGMCDMAVGQL-UHFFFAOYSA-N
MW363.46 g/mol
LogP0.43
Rot. Bonds6

About N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide

N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide (PubChem CID 70778335) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide
PubChem CID70778335
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC NameN-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide
SMILESCC(C)N1CCOC(CC(=O)NCc2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C18H29N5O3/c1-14(2)23-5-8-26-16(12-23)10-18(24)19-11-15-9-17(21-13-20-15)22-3-6-25-7-4-22/h9,13-14,16H,3-8,10-12H2,1-2H3,(H,19,24)
InChIKeyQHJYGMCDMAVGQL-UHFFFAOYSA-N
XLogP0.43
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide?
The IUPAC name of N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide (CID 70778335) is N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide.
What is the SMILES notation for N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide?
The canonical SMILES for N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide is CC(C)N1CCOC(CC(=O)NCc2cc(N3CCOCC3)ncn2)C1.
What is the InChIKey of N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide?
The InChIKey is QHJYGMCDMAVGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-14(2)23-5-8-26-16(12-23)10-18(24)19-11-15-9-17(21-13-20-15)22-3-6-25-7-4-22/h9,13-14,16H,3-8,10-12H2,1-2H3,(H,19,24).
What are the key properties of N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide?
N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide has a molecular weight of 363.46 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide is sourced from PubChem (CID 70778335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).